[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N2O4S/c24-19(22-11-9-15-5-1-2-6-16(15)13-22)14-27-21(26)17-7-3-10-23(17)20(25)18-8-4-12-28-18/h1-2,4-6,8,12,17H,3,7,9-11,13-14H2