[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-13(24)21-14-5-2-6-15(11-14)22-18(25)12-28-20(27)16-7-3-9-23(16)19(26)17-8-4-10-29-17/h2,4-6,8,10-11,16H,3,7,9,12H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1