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

Systemtic Name: propan-2-yl 4-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-13(2)26-19(25)10-14(24)12-28-21-16(11-22)20(18-8-5-9-27-18)15-6-3-4-7-17(15)23-21/h5,8-9,13H,3-4,6-7,10,12H2,1-2H3