3-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(2-methyl-5-methylsulfanyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]benzoic acid Traditional Name: 3-[[2-methyl-5-(methylthio)benzoyl]amino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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