2-methyl-3-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-methyl-3-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(o-tolylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-methyl-3-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-methyl-3-[[2-[(2-methylbenzyl)thio]acetyl]amino]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=CC=CC(=C2C)C(=O)O

InChI

InChI=1S/C18H19NO3S/c1-12-6-3-4-7-14(12)10-23-11-17(20)19-16-9-5-8-15(13(16)2)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)