[(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [(1R)-2-(4-acetamidoanilino)-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 [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-13(19(26)23-16-9-7-15(8-10-16)22-14(2)25)29-21(28)17-5-3-11-24(17)20(27)18-6-4-12-30-18/h4,6-10,12-13,17H,3,5,11H2,1-2H3,(H,22,25)(H,23,26)/t13-,17+/m1/s1