methyl 4-(3-methylsulfanylpropylamino)benzoate

Systemtic Name: methyl 4-(3-methylsulfanylpropylamino)benzoate Openeye Name: methyl 4-(3-methylsulfanylpropylamino)benzoate CAS Name: 4-[3-(methylthio)propylamino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-methylsulfanylpropylamino)benzoate Traditional Name: 4-[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=C(C=C1)NCCCSC

Isomeric SMILES

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

InChI

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