methyl 4-[(3-methylsulfanylphenyl)amino]butanoate

Systemtic Name: methyl 4-[(3-methylsulfanylphenyl)amino]butanoate Openeye Name: methyl 4-(3-methylsulfanylanilino)butanoate CAS Name: 4-[3-(methylthio)anilino]butanoic acid methyl ester IUPAC Name: methyl 4-(3-methylsulfanylanilino)butanoate Traditional Name: 4-[3-(methylthio)anilino]butyric acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=CC(=CC=C1)SC

Isomeric SMILES

COC(=O)CCCNC1=CC(=CC=C1)SC

InChI

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