(phenylmethyl) 2-(phenethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(phenethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-(phenethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[oxo-(phenethylamino)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(phenethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(phenethylcarbamoyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)S

Isomeric SMILES

C1C(CN(C1C(=O)NCCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)S

InChI

InChI=1S/C21H24N2O3S/c24-20(22-12-11-16-7-3-1-4-8-16)19-13-18(27)14-23(19)21(25)26-15-17-9-5-2-6-10-17/h1-10,18-19,27H,11-15H2,(H,22,24)