3-[2-(4-methylphenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(p-tolylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-(p-tolylthio)acetyl]amino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-11-5-7-14(8-6-11)21-10-15(18)17-13-4-2-3-12(9-13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)