1-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5-chloro-2-thienyl)methylthio]acetyl]-4-hydroxy-proline Formula: C12H14ClNO4S2 MolecularWeight: 335.82686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CSCC2=CC=C(S2)Cl)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)CSCC2=CC=C(S2)Cl)O

InChI

InChI=1S/C12H14ClNO4S2/c13-10-2-1-8(20-10)5-19-6-11(16)14-4-7(15)3-9(14)12(17)18/h1-2,7,9,15H,3-6H2,(H,17,18)