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

Systemtic Name: propan-2-yl 2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: isopropyl 2-[2-oxo-2-(sec-butylamino)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(sec-butylamino)ethyl]thio]nicotinic acid isopropyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-5-11(4)17-13(18)9-21-14-12(7-6-8-16-14)15(19)20-10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,17,18)