4-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-[2-(methylthio)anilino]-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-keto-2-[2-(methylthio)anilino]ethyl]amino]butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CNCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CNCCCC(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-19-11-6-3-2-5-10(11)15-12(16)9-14-8-4-7-13(17)18/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)(H,17,18)