(2-oxidanylidenecyclohexyl) 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidenecyclohexyl) 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (2-oxocyclohexyl) 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2-ketocyclohexyl) ester Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OC2CCCCC2=O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OC2CCCCC2=O

InChI

InChI=1S/C13H15NO3S/c1-18-12-9(5-4-8-14-12)13(16)17-11-7-3-2-6-10(11)15/h4-5,8,11H,2-3,6-7H2,1H3