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

Systemtic Name: ethyl 4-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-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=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3

InChI

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