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

Systemtic Name: (4S)-4-(4-chlorophenyl)-2-ethylsulfanyl-7,7-dimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-4-(4-chlorophenyl)-2-ethylsulfanyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-4-(4-chlorophenyl)-2-(ethylthio)-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-4-(4-chlorophenyl)-2-ethylsulfanyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-4-(4-chlorophenyl)-2-(ethylthio)-5-keto-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C20H21ClN2OS MolecularWeight: 372.91154

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(C1C#N)C3=CC=C(C=C3)Cl)C(=O)CC(C2)(C)C

Isomeric SMILES

CCSC1=NC2=C([C@@H](C1C#N)C3=CC=C(C=C3)Cl)C(=O)CC(C2)(C)C

InChI

InChI=1S/C20H21ClN2OS/c1-4-25-19-14(11-22)17(12-5-7-13(21)8-6-12)18-15(23-19)9-20(2,3)10-16(18)24/h5-8,14,17H,4,9-10H2,1-3H3/t14?,17-/m1/s1