[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2CCCCCC2

InChI

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