ethyl 5-cyano-6-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(1,5-dimethylhexylamino)-2-oxo-ethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(6-methylheptan-2-ylamino)-2-oxoethyl]thio]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(1,5-dimethylhexylamino)-2-keto-ethyl]thio]-2-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)NC(C)CCCC(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)NC(C)CCCC(C)C)C#N

InChI

InChI=1S/C19H27N3O4S/c1-5-26-19(25)15-9-14(10-20)18(22-17(15)24)27-11-16(23)21-13(4)8-6-7-12(2)3/h9,12-13H,5-8,11H2,1-4H3,(H,21,23)(H,22,24)