(4S)-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-2-thiolate

Systemtic Name: (4S)-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-2-thiolate Openeye Name: (4S)-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-2-thiolate CAS Name: (4S)-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-2-thiolate IUPAC Name: (4S)-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-2-thiolate Traditional Name: (4S)-4-(4-chlorophenyl)-3-cyano-5-keto-7,7-dimethyl-4,4a,6,8-tetrahydroquinoline-2-thiolate Formula: C18H16ClN2OS- MolecularWeight: 343.85044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=C(C(C2C(=O)C1)C3=CC=C(C=C3)Cl)C#N)[S-])C

Isomeric SMILES

CC1(CC2=NC(=C([C@@H](C2C(=O)C1)C3=CC=C(C=C3)Cl)C#N)[S-])C

InChI

InChI=1S/C18H17ClN2OS/c1-18(2)7-13-16(14(22)8-18)15(12(9-20)17(23)21-13)10-3-5-11(19)6-4-10/h3-6,15-16,23H,7-8H2,1-2H3/p-1/t15-,16?/m0/s1