3-methyl-4-[(2-methylsulfanylphenyl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(2-methylsulfanylphenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(2-methylsulfanylbenzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[[2-(methylthio)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-methylsulfanylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[[2-(methylthio)benzoyl]amino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C16H15NO3S/c1-10-9-11(16(19)20)7-8-13(10)17-15(18)12-5-3-4-6-14(12)21-2/h3-9H,1-2H3,(H,17,18)(H,19,20)