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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-12-2-8-15(9-3-12)22-11-16(19)18-10-13-4-6-14(7-5-13)17(20)21/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)