2-chloranyl-5-(3-methylsulfanylpropylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(3-methylsulfanylpropylamino)benzoic acid Openeye Name: 2-chloro-5-(3-methylsulfanylpropylamino)benzoic acid CAS Name: 2-chloro-5-[3-(methylthio)propylamino]benzoic acid IUPAC Name: 2-chloro-5-(3-methylsulfanylpropylamino)benzoic acid Traditional Name: 2-chloro-5-[3-(methylthio)propylamino]benzoic acid Formula: C11H14ClNO2S MolecularWeight: 259.75236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClNO2S/c1-16-6-2-5-13-8-3-4-10(12)9(7-8)11(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)