2-[[3-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-naphthalen-1-yl-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-naphthalen-1-yl-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-(1-naphthyl)acetamide CAS Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]-N-(1-naphthyl)acetamide Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC5=CC=CC=C54)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC5=CC=CC=C54)C#N)O

InChI

InChI=1S/C29H25N3O4S/c1-36-25-14-18(12-13-23(25)33)27-20(15-30)29(32-22-10-5-11-24(34)28(22)27)37-16-26(35)31-21-9-4-7-17-6-2-3-8-19(17)21/h2-4,6-9,12-14,27,32-33H,5,10-11,16H2,1H3,(H,31,35)