(4R)-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R)-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-4-(4-butoxyphenyl)-2-mercapto-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-4-(4-butoxyphenyl)-5-keto-2-mercapto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)S)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2C(=C(NC3=C2C(=O)CC(C3)(C)C)S)C#N

InChI

InChI=1S/C22H26N2O2S/c1-4-5-10-26-15-8-6-14(7-9-15)19-16(13-23)21(27)24-17-11-22(2,3)12-18(25)20(17)19/h6-9,19,24,27H,4-5,10-12H2,1-3H3/t19-/m0/s1