2-[methyl(3-methylsulfanylpropanoyl)amino]benzoic acid

Systemtic Name: 2-[methyl(3-methylsulfanylpropanoyl)amino]benzoic acid Openeye Name: 2-[methyl(3-methylsulfanylpropanoyl)amino]benzoic acid CAS Name: 2-[methyl-[3-(methylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[methyl(3-methylsulfanylpropanoyl)amino]benzoic acid Traditional Name: 2-[methyl-[3-(methylthio)propanoyl]amino]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)CCSC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)CCSC

InChI

InChI=1S/C12H15NO3S/c1-13(11(14)7-8-17-2)10-6-4-3-5-9(10)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)