[1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O5S/c1-13(24)15-6-3-7-16(12-15)22-19(25)14(2)28-21(27)17-8-4-10-23(17)20(26)18-9-5-11-29-18/h3,5-7,9,11-12,14,17H,4,8,10H2,1-2H3,(H,22,25)/t14?,17-/m0/s1