Marvin  06260713122D          

 19 19  0  0  0  0            999 V2000
   -1.2188    3.4813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332    2.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6477    2.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3622    2.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5043    2.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2102    2.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247    3.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2102    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247    2.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6391    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3536    3.8938    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0681    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6391    2.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3536    2.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2188    2.6563    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4323    1.8594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4323    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198    1.1449    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1948    1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  2  0  0  0  0
 15  5  1  0  0  0  0
 15  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  2  0  0  0  0
 13 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:38680

> <NAME>
fenamiphos

> <STAR>
3

> <SYNONYM>
phenamiphos; Nemacur; methaphenamiphos; isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate; fenamiphos; ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate; ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate; ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate

> <IUPAC_NAME>
ethyl 3-methyl-4-(methylsulfanyl)phenyl N-(propan-2-yl)phosphoramidate

> <FORMULA>
C13H22NO3PS

> <MASS>
303.35848

> <MONOISOTOPIC_MASS>
303.10580

> <CHARGE>
0

> <SMILES>
CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1

> <INCHI>
InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)

> <INCHIKEY>
ZCJPOPBZHLUFHF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4752893

> <CAS_REGISTRY_NUMBER>
22224-92-6

> <CHEMIDPLUS>
22224-92-6

> <KEGG_COMPOUND_ACCESSION>
C18659

> <NIST_CHEMISTRY_WEBBOOK>
22224-92-6

$$$$