3-chloranyl-2-[methyl-(phenylmethyl)carbamoyl]-4-phenyl-2-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 3-chloranyl-2-[methyl-(phenylmethyl)carbamoyl]-4-phenyl-2-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[benzyl(methyl)carbamoyl]-3-chloro-4-phenyl-2-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 3-chloro-2-mercapto-2-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-phenyl-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[benzyl(methyl)carbamoyl]-3-chloro-4-phenyl-2-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[benzyl(methyl)carbamoyl]-3-chloro-2-mercapto-4-phenyl-pyrrolidine-1-carboxylic acid Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2(C(C(CN2C(=O)O)C3=CC=CC=C3)Cl)S

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2(C(C(CN2C(=O)O)C3=CC=CC=C3)Cl)S

InChI

InChI=1S/C20H21ClN2O3S/c1-22(12-14-8-4-2-5-9-14)18(24)20(27)17(21)16(13-23(20)19(25)26)15-10-6-3-7-11-15/h2-11,16-17,27H,12-13H2,1H3,(H,25,26)