(phenylmethyl) (2S)-2-[[3-(5-ethanoylthiophen-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(5-ethanoylthiophen-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(5-acetyl-2-thienyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(5-acetyl-2-thiophenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(5-acetylthiophen-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(5-acetyl-2-thienyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C2=CC(=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-17(28)22-12-13-23(32-22)19-9-5-10-20(15-19)26-24(29)21-11-6-14-27(21)25(30)31-16-18-7-3-2-4-8-18/h2-5,7-10,12-13,15,21H,6,11,14,16H2,1H3,(H,26,29)/t21-/m0/s1