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

Systemtic Name: 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-chloro-5-methylsulfanyl-benzoyl)-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-chloro-5-methylsulfanylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-chloro-5-(methylthio)benzoyl]-4-methoxy-proline Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=C(C=CC(=C2)SC)Cl)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)C2=C(C=CC(=C2)SC)Cl)C(=O)O

InChI

InChI=1S/C14H16ClNO4S/c1-20-8-5-12(14(18)19)16(7-8)13(17)10-6-9(21-2)3-4-11(10)15/h3-4,6,8,12H,5,7H2,1-2H3,(H,18,19)