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

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[(3-methylbenzyl)thio]acetyl]amino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=CC=C2C(=O)O

InChI

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