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

Systemtic Name: 3-methyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-methyl-2-[[2-(p-tolylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-methyl-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-methyl-2-[[2-(p-tolylthio)acetyl]amino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC=C2C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC=C2C)C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-11-6-8-13(9-7-11)22-10-15(19)18-16-12(2)4-3-5-14(16)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)