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

Systemtic Name: 2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 4-methylsulfonyl-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[2-(methylthio)nicotinoyl]amino]butyric acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-20-11-8(4-3-6-13-11)10(15)14-9(12(16)17)5-7-21(2,18)19/h3-4,6,9H,5,7H2,1-2H3,(H,14,15)(H,16,17)