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

Systemtic Name: 3-methyl-4-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[2-[(3-methylbenzyl)thio]acetyl]amino]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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