1-[(2-methylsulfanylpyridin-3-yl)carbonylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(2-methylsulfanylpyridin-3-yl)carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(methylthio)nicotinoyl]amino]cycloheptanecarboxylic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2(CCCCCC2)C(=O)O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-21-13-11(7-6-10-16-13)12(18)17-15(14(19)20)8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)(H,19,20)