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

Systemtic Name: 2-[[(4S)-3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-4,4a,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(4S)-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[(4S)-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinolin-2-yl]thio]acetic acid IUPAC Name: 2-[[(4S)-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[(4S)-3-cyano-5-keto-7,7-dimethyl-4-phenyl-4,4a,6,8-tetrahydroquinolin-2-yl]thio]acetic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=C(C(C2C(=O)C1)C3=CC=CC=C3)C#N)SCC(=O)O)C

Isomeric SMILES

CC1(CC2=NC(=C([C@@H](C2C(=O)C1)C3=CC=CC=C3)C#N)SCC(=O)O)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/h3-7,17-18H,8-9,11H2,1-2H3,(H,24,25)/t17-,18?/m0/s1