3-[(3-methylsulfanylphenyl)carbamoyl]benzoic acid

Systemtic Name: 3-[(3-methylsulfanylphenyl)carbamoyl]benzoic acid Openeye Name: 3-[(3-methylsulfanylphenyl)carbamoyl]benzoic acid CAS Name: 3-[[3-(methylthio)anilino]-oxomethyl]benzoic acid IUPAC Name: 3-[(3-methylsulfanylphenyl)carbamoyl]benzoic acid Traditional Name: 3-[[3-(methylthio)phenyl]carbamoyl]benzoic acid Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C15H13NO3S/c1-20-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(8-10)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)