2-methyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 2-methyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[(2-benzylsulfanylacetyl)amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzoic acid Traditional Name: 3-[[2-(benzylthio)acetyl]amino]-2-methyl-benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CSCC2=CC=CC=C2)C(=O)O

InChI

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