CHEBI:107314 - 8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
ChEBI ID CHEBI:107314
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H20ClN3O2S
Net Charge 0
Average Mass 425.933
Monoisotopic Mass 425.09648
InChI InChI=1S/C22H20ClN3O2S/c1-2-28-16-9-7-15(8-10-16)25-13-26-21(27)11-18(17-5-3-4-6-20(17)23)19(12-24)22(26)29-14-25/h3-10,18H,2,11,13-14H2,1H3
InChIKey NHRWFZXWMCOFCE-UHFFFAOYSA-N
SMILES CCOC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4Cl
ChEBI Ontology
Outgoing 8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CHEBI:107314) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-18668 LINCS
View more database links