2-(3-methylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 2-(3-methylsulfanylpropanoylamino)benzoic acid Openeye Name: 2-(3-methylsulfanylpropanoylamino)benzoic acid CAS Name: 2-[[3-(methylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-(3-methylsulfanylpropanoylamino)benzoic acid Traditional Name: 2-[3-(methylthio)propanoylamino]benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

CSCCC(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-16-7-6-10(13)12-9-5-3-2-4-8(9)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)