2-[[(4S)-3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(4S)-3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[(4S)-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetate IUPAC Name: 2-[[(4S)-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-3-cyano-5-keto-7,7-dimethyl-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetate Formula: C20H19N2O3S- MolecularWeight: 367.44146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC(=O)[O-])C#N)C3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C(=C(N2)SCC(=O)[O-])C#N)C3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C20H20N2O3S/c1-20(2)8-14-18(15(23)9-20)17(12-6-4-3-5-7-12)13(10-21)19(22-14)26-11-16(24)25/h3-7,17,22H,8-9,11H2,1-2H3,(H,24,25)/p-1/t17-/m1/s1