ethyl 4-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CS3

InChI

InChI=1S/C20H20N2O3S2/c1-2-25-18(24)10-13(23)12-27-20-16(11-21)14-6-3-4-7-15(14)19(22-20)17-8-5-9-26-17/h5,8-9H,2-4,6-7,10,12H2,1H3