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CHEBI:41683 - 4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE

Default Structure
ChEBI IDCHEBI:41683
ChEBI Name4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H15N2O4S
Net Charge-1
Average Mass331.373
Monoisotopic Mass331.07580
SMILES[H]C(=O)C([H])([H])N1C(=O)/C(=C(\[H])c2c([H])c([H])c([O-])c([H])c2[H])N=C1C(=O)C([H])([H])C([H])([H])SC([H])([H])[H]
InChIInChI=1S/C16H16N2O4S/c1-23-9-6-14(21)15-17-13(16(22)18(15)7-8-19)10-11-2-4-12(20)5-3-11/h2-5,8,10,20H,6-7,9H2,1H3/p-1/b13-10-
InChIKeyPOPNGBKQPJVYFV-RAXLEYEMSA-M
ChEBI Ontology
Outgoing Relation(s)
4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE (CHEBI:41683) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolatePDBeChem
4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATEPDBeChem
Manual XrefsDatabases
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