3-(3-methylsulfanylpropylamino)benzoic acid

Systemtic Name: 3-(3-methylsulfanylpropylamino)benzoic acid Openeye Name: 3-(3-methylsulfanylpropylamino)benzoic acid CAS Name: 3-[3-(methylthio)propylamino]benzoic acid IUPAC Name: 3-(3-methylsulfanylpropylamino)benzoic acid Traditional Name: 3-[3-(methylthio)propylamino]benzoic acid Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CSCCCNC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C11H15NO2S/c1-15-7-3-6-12-10-5-2-4-9(8-10)11(13)14/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,14)