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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C2=CC=CC=C2SC)C(=O)O

InChI

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