4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-(phenylmethylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(3,4-dimethoxyphenyl)-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C

InChI

InChI=1S/C27H28N2O3S/c1-27(2)13-20-25(21(30)14-27)24(18-10-11-22(31-3)23(12-18)32-4)19(15-28)26(29-20)33-16-17-8-6-5-7-9-17/h5-12,24,29H,13-14,16H2,1-4H3