1-ethanoyl-4-(phenylmethylsulfanyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-ethanoyl-4-(phenylmethylsulfanyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-acetyl-4-benzylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-acetyl-4-(phenylmethylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-acetyl-4-benzylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-acetyl-4-(benzylthio)proline Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3S/c1-10(16)15-8-12(7-13(15)14(17)18)19-9-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3,(H,17,18)