4-methylsulfanyl-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methylsulfanyl-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-methylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 4-(methylthio)-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methylsulfanyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4-(methylthio)proline Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H17NO4S/c1-20-11-7-12(13(16)17)15(8-11)14(18)19-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,17)