(4S)-2-butylsulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2-butylsulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-butylsulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-(butylthio)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-butylsulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-(butylthio)-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C23H28N2O2S MolecularWeight: 396.54562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(C1C#N)C3=CC=C(C=C3)OC)C(=O)CC(C2)(C)C

Isomeric SMILES

CCCCSC1=NC2=C([C@@H](C1C#N)C3=CC=C(C=C3)OC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C23H28N2O2S/c1-5-6-11-28-22-17(14-24)20(15-7-9-16(27-4)10-8-15)21-18(25-22)12-23(2,3)13-19(21)26/h7-10,17,20H,5-6,11-13H2,1-4H3/t17?,20-/m1/s1