4-[(2-methylsulfanylpyridin-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(2-methylsulfanylpyridin-3-yl)carbonylamino]butanoic acid Openeye Name: 4-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid CAS Name: 4-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid Traditional Name: 4-[[2-(methylthio)nicotinoyl]amino]butyric acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCCCC(=O)O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCCCC(=O)O

InChI

InChI=1S/C11H14N2O3S/c1-17-11-8(4-2-7-13-11)10(16)12-6-3-5-9(14)15/h2,4,7H,3,5-6H2,1H3,(H,12,16)(H,14,15)