2-methyl-3-(3-methylsulfanylpropylamino)benzoic acid

Systemtic Name: 2-methyl-3-(3-methylsulfanylpropylamino)benzoic acid Openeye Name: 2-methyl-3-(3-methylsulfanylpropylamino)benzoic acid CAS Name: 2-methyl-3-[3-(methylthio)propylamino]benzoic acid IUPAC Name: 2-methyl-3-(3-methylsulfanylpropylamino)benzoic acid Traditional Name: 2-methyl-3-[3-(methylthio)propylamino]benzoic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NCCCSC)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NCCCSC)C(=O)O

InChI

InChI=1S/C12H17NO2S/c1-9-10(12(14)15)5-3-6-11(9)13-7-4-8-16-2/h3,5-6,13H,4,7-8H2,1-2H3,(H,14,15)