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

Systemtic Name: methyl 2-[(3-cyano-4,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(3-cyano-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-cyano-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-5-keto-4,7,7-trimethyl-1,4,6,8-tetrahydroquinolin-2-yl)thio]acetic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC(=O)OC)C#N

Isomeric SMILES

CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC(=O)OC)C#N

InChI

InChI=1S/C16H20N2O3S/c1-9-10(7-17)15(22-8-13(20)21-4)18-11-5-16(2,3)6-12(19)14(9)11/h9,18H,5-6,8H2,1-4H3