7-[(2-methylsulfanylpyridin-3-yl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(2-methylsulfanylpyridin-3-yl)carbonylamino]heptanoic acid Openeye Name: 7-[(2-methylsulfanylpyridine-3-carbonyl)amino]heptanoic acid CAS Name: 7-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(2-methylsulfanylpyridine-3-carbonyl)amino]heptanoic acid Traditional Name: 7-[[2-(methylthio)nicotinoyl]amino]enanthic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-20-14-11(7-6-10-16-14)13(19)15-9-5-3-2-4-8-12(17)18/h6-7,10H,2-5,8-9H2,1H3,(H,15,19)(H,17,18)