methyl 2-[(2-oxidanylidenecyclopentyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[(2-oxidanylidenecyclopentyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: methyl 2-[(2-oxocyclopentyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(2-oxocyclopentyl)methylthio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-oxocyclopentyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(2-ketocyclopentyl)methylthio]nicotinic acid methyl ester Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)SCC2CCCC2=O

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)SCC2CCCC2=O

InChI

InChI=1S/C13H15NO3S/c1-17-13(16)10-5-3-7-14-12(10)18-8-9-4-2-6-11(9)15/h3,5,7,9H,2,4,6,8H2,1H3