3-methyl-4-(3-methylsulfanylpropylamino)benzoic acid

Systemtic Name: 3-methyl-4-(3-methylsulfanylpropylamino)benzoic acid Openeye Name: 3-methyl-4-(3-methylsulfanylpropylamino)benzoic acid CAS Name: 3-methyl-4-[3-(methylthio)propylamino]benzoic acid IUPAC Name: 3-methyl-4-(3-methylsulfanylpropylamino)benzoic acid Traditional Name: 3-methyl-4-[3-(methylthio)propylamino]benzoic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NCCCSC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NCCCSC

InChI

InChI=1S/C12H17NO2S/c1-9-8-10(12(14)15)4-5-11(9)13-6-3-7-16-2/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15)