methyl 3-(3-methylsulfanylpropylamino)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NCCCSC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NCCCSC

InChI

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