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

Systemtic Name: methyl 3-[(4-methylsulfanylphenyl)amino]butanoate Openeye Name: methyl 3-(4-methylsulfanylanilino)butanoate CAS Name: 3-[4-(methylthio)anilino]butanoic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfanylanilino)butanoate Traditional Name: 3-[4-(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=C(C=C1)SC

Isomeric SMILES

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

InChI

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