5-oxidanylidene-2-(phenylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 5-oxidanylidene-2-(phenylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 5-oxo-2-(phenylmethylthio)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-5-keto-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H26N2O4S/c1-30-21-12-17(13-22(31-2)25(21)32-3)23-18(14-27)26(33-15-16-8-5-4-6-9-16)28-19-10-7-11-20(29)24(19)23/h4-6,8-9,12-13,23,28H,7,10-11,15H2,1-3H3