1-(2-methyl-5-methylsulfanyl-phenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-5-methylsulfanyl-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-5-methylsulfanyl-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-methyl-5-(methylthio)benzoyl]proline Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-9-5-6-10(19-2)8-11(9)13(16)15-7-3-4-12(15)14(17)18/h5-6,8,12H,3-4,7H2,1-2H3,(H,17,18)