2-[[3-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[[3-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]-N,N-diphenyl-acetamide Formula: C31H27N3O4S MolecularWeight: 537.62878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C#N)O

InChI

InChI=1S/C31H27N3O4S/c1-38-27-17-20(15-16-25(27)35)29-23(18-32)31(33-24-13-8-14-26(36)30(24)29)39-19-28(37)34(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,15-17,29,33,35H,8,13-14,19H2,1H3