methyl 3-methyl-4-(3-methylsulfanylpropylamino)benzoate

Systemtic Name: methyl 3-methyl-4-(3-methylsulfanylpropylamino)benzoate Openeye Name: methyl 3-methyl-4-(3-methylsulfanylpropylamino)benzoate CAS Name: 3-methyl-4-[3-(methylthio)propylamino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-(3-methylsulfanylpropylamino)benzoate Traditional Name: 3-methyl-4-[3-(methylthio)propylamino]benzoic acid methyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2S/c1-10-9-11(13(15)16-2)5-6-12(10)14-7-4-8-17-3/h5-6,9,14H,4,7-8H2,1-3H3