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

Systemtic Name: 1-(2-methyl-5-methylsulfanyl-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-(2-methyl-5-methylsulfanyl-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[2-methyl-5-(methylthio)benzoyl]proline Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C14H17NO4S/c1-8-3-4-10(20-2)6-11(8)13(17)15-7-9(16)5-12(15)14(18)19/h3-4,6,9,12,16H,5,7H2,1-2H3,(H,18,19)