ethyl 5-cyano-2-methyl-6-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(isobutylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC(C)C)C

InChI

InChI=1S/C16H21N3O3S/c1-5-22-16(21)13-6-12(7-17)15(19-11(13)4)23-9-14(20)18-8-10(2)3/h6,10H,5,8-9H2,1-4H3,(H,18,20)