ethyl 4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-3-keto-butyric acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C

InChI

InChI=1S/C17H20N2O3S/c1-3-22-16(21)8-12(20)10-23-17-15(9-18)14-7-5-4-6-13(14)11(2)19-17/h3-8,10H2,1-2H3