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

Systemtic Name: methyl 4-chloranyl-3-(3-methylsulfanylpropylamino)benzoate Openeye Name: methyl 4-chloro-3-(3-methylsulfanylpropylamino)benzoate CAS Name: 4-chloro-3-[3-(methylthio)propylamino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(3-methylsulfanylpropylamino)benzoate Traditional Name: 4-chloro-3-[3-(methylthio)propylamino]benzoic acid methyl ester Formula: C12H16ClNO2S MolecularWeight: 273.77894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO2S/c1-16-12(15)9-4-5-10(13)11(8-9)14-6-3-7-17-2/h4-5,8,14H,3,6-7H2,1-2H3