[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O6S/c1-28-20(26)15-8-6-14(7-9-15)12-22-18(24)13-29-21(27)16-4-2-10-23(16)19(25)17-5-3-11-30-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,22,24)