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

Systemtic Name: 3-methyl-4-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-[(2-benzylsulfanylacetyl)amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 4-[(2-benzylsulfanylacetyl)amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(benzylthio)acetyl]amino]-3-methyl-benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSCC2=CC=CC=C2

InChI

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