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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)NC1=CC(=CC=C1)SC

Isomeric SMILES

CC(CC(=O)OC)NC1=CC(=CC=C1)SC

InChI

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