ethyl 2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[2-oxo-2-(sec-butylamino)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(sec-butylamino)ethyl]thio]nicotinic acid ethyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=C(C=CC=N1)C(=O)OCC

Isomeric SMILES

CCC(C)NC(=O)CSC1=C(C=CC=N1)C(=O)OCC

InChI

InChI=1S/C14H20N2O3S/c1-4-10(3)16-12(17)9-20-13-11(7-6-8-15-13)14(18)19-5-2/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)