1-[3-(2-chlorophenyl)sulfanylpropanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[(2-chlorophenyl)thio]-1-oxopropyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[(2-chlorophenyl)thio]propanoyl]-4-hydroxy-proline Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CCSC2=CC=CC=C2Cl)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)CCSC2=CC=CC=C2Cl)O

InChI

InChI=1S/C14H16ClNO4S/c15-10-3-1-2-4-12(10)21-6-5-13(18)16-8-9(17)7-11(16)14(19)20/h1-4,9,11,17H,5-8H2,(H,19,20)