ethyl 4-oxidanylidene-4-[(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butanoate Openeye Name: ethyl 4-oxo-4-[[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]butanoate CAS Name: 4-oxo-4-[[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]butanoate Traditional Name: 4-keto-4-[[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]butyric acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CS3)C=C1

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CS3)C=C1

InChI

InChI=1S/C20H22N2O4S/c1-2-26-19(24)8-7-18(23)21-16-6-5-14-9-10-22(13-15(14)12-16)20(25)17-4-3-11-27-17/h3-6,11-12H,2,7-10,13H2,1H3,(H,21,23)