1-(2-methyl-5-methylsulfanyl-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(2-methyl-5-methylsulfanyl-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(2-methyl-5-methylsulfanyl-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-methyl-5-methylsulfanylbenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-methyl-5-(methylthio)benzoyl]nipecotic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-10-5-6-12(20-2)8-13(10)14(17)16-7-3-4-11(9-16)15(18)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,18,19)