[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C25H21ClN2O5S MolecularWeight: 496.96264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O5S/c26-17-10-11-19(18(14-17)23(30)16-6-2-1-3-7-16)27-22(29)15-33-25(32)20-8-4-12-28(20)24(31)21-9-5-13-34-21/h1-3,5-7,9-11,13-14,20H,4,8,12,15H2,(H,27,29)/t20-/m0/s1