2-[[3-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-cyclohexyl-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-cyclohexyl-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-cyclohexyl-acetamide CAS Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4CCCCC4)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4CCCCC4)C#N)O

InChI

InChI=1S/C25H29N3O4S/c1-32-21-12-15(10-11-19(21)29)23-17(13-26)25(28-18-8-5-9-20(30)24(18)23)33-14-22(31)27-16-6-3-2-4-7-16/h10-12,16,23,28-29H,2-9,14H2,1H3,(H,27,31)