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

Systemtic Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-chlorobenzyl)thio]acetyl]-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)CSCC2=CC(=CC=C2)Cl)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)CSCC2=CC(=CC=C2)Cl)O

InChI

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