(4R)-7,7-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-5-oxidanylidene-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R)-7,7-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-5-oxidanylidene-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-7,7-dimethyl-5-oxo-2-(p-tolylmethylsulfanyl)-4-(2-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-7,7-dimethyl-2-[(4-methylphenyl)methylthio]-5-oxo-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-7,7-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-5-oxo-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-5-keto-7,7-dimethyl-2-[(4-methylbenzyl)thio]-4-(2-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C24H24N2OS2 MolecularWeight: 420.59016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C(C3C(=N2)CC(CC3=O)(C)C)C4=CC=CS4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C([C@@H](C3C(=N2)CC(CC3=O)(C)C)C4=CC=CS4)C#N

InChI

InChI=1S/C24H24N2OS2/c1-15-6-8-16(9-7-15)14-29-23-17(13-25)21(20-5-4-10-28-20)22-18(26-23)11-24(2,3)12-19(22)27/h4-10,21-22H,11-12,14H2,1-3H3/t21-,22?/m1/s1