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

Systemtic Name: 5-methyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 5-methyl-2-[[2-(p-tolylsulfanyl)acetyl]amino]benzoic acid CAS Name: 5-methyl-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 5-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=C(C=C2)C)C(=O)O

Isomeric SMILES

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

InChI

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