hexyl 6-sulfanylidene-1H-pyridine-2-carboxylate

Systemtic Name: hexyl 6-sulfanylidene-1H-pyridine-2-carboxylate Openeye Name: hexyl 6-thioxo-1H-pyridine-2-carboxylate CAS Name: 6-sulfanylidene-1H-pyridine-2-carboxylic acid hexyl ester IUPAC Name: hexyl 6-sulfanylidene-1H-pyridine-2-carboxylate Traditional Name: 6-thioxo-1H-pyridine-2-carboxylic acid hexyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC(=S)N1

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC(=S)N1

InChI

InChI=1S/C12H17NO2S/c1-2-3-4-5-9-15-12(14)10-7-6-8-11(16)13-10/h6-8H,2-5,9H2,1H3,(H,13,16)