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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(1,2-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(1,2-dimethylpropylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-6-23-17(22)14-7-13(8-18)16(20-12(14)5)24-9-15(21)19-11(4)10(2)3/h7,10-11H,6,9H2,1-5H3,(H,19,21)