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

Systemtic Name: [(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [(1S)-2-(3-chloroanilino)-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 [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [(1S)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S/c1-12(17(23)21-14-6-2-5-13(20)11-14)26-19(25)15-7-3-9-22(15)18(24)16-8-4-10-27-16/h2,4-6,8,10-12,15H,3,7,9H2,1H3,(H,21,23)/t12-,15-/m0/s1