1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-chloro-5-methylsulfanyl-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-chloro-5-methylsulfanylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-chloro-5-(methylthio)benzoyl]-4-hydroxy-proline Formula: C13H14ClNO4S MolecularWeight: 315.77256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C13H14ClNO4S/c1-20-8-2-3-10(14)9(5-8)12(17)15-6-7(16)4-11(15)13(18)19/h2-3,5,7,11,16H,4,6H2,1H3,(H,18,19)