4-[(3-methylsulfanylphenyl)amino]butanoate

Systemtic Name: 4-[(3-methylsulfanylphenyl)amino]butanoate Openeye Name: 4-(3-methylsulfanylanilino)butanoate CAS Name: 4-[3-(methylthio)anilino]butanoate IUPAC Name: 4-(3-methylsulfanylanilino)butanoate Traditional Name: 4-[3-(methylthio)anilino]butyrate Formula: C11H14NO2S- MolecularWeight: 224.29936

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCCCC(=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NCCCC(=O)[O-]

InChI

InChI=1S/C11H15NO2S/c1-15-10-5-2-4-9(8-10)12-7-3-6-11(13)14/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,14)/p-1