2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid

Systemtic Name: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid Openeye Name: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid CAS Name: 2-(cyanomethylthio)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid IUPAC Name: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid Traditional Name: 2-(cyanomethylthio)-5-keto-7,7-dimethyl-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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