(4R)-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-2-(phenylmethylsulfanyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4R)-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-2-(phenylmethylsulfanyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4R)-2-benzylsulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4R)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-2-(phenylmethylthio)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4R)-2-benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4R)-2-(benzylthio)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2C(C(=NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N)O

InChI

InChI=1S/C24H22N2O3S/c1-29-21-12-16(10-11-19(21)27)22-17(13-25)24(30-14-15-6-3-2-4-7-15)26-18-8-5-9-20(28)23(18)22/h2-4,6-7,10-12,17,22,27H,5,8-9,14H2,1H3/t17?,22-/m0/s1