(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-(phenacylthio)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-4-(3,4-dimethoxyphenyl)-5-keto-7,7-dimethyl-2-(phenacylthio)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=C(C(C2C(=O)C1)C3=CC(=C(C=C3)OC)OC)C#N)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=NC(=C([C@@H](C2C(=O)C1)C3=CC(=C(C=C3)OC)OC)C#N)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H28N2O4S/c1-28(2)13-20-26(21(31)14-28)25(18-10-11-23(33-3)24(12-18)34-4)19(15-29)27(30-20)35-16-22(32)17-8-6-5-7-9-17/h5-12,25-26H,13-14,16H2,1-4H3/t25-,26?/m0/s1