ethyl 5-cyano-6-[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCCCC(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCCCC(=O)OC)C

InChI

InChI=1S/C17H21N3O5S/c1-4-25-17(23)13-8-12(9-18)16(20-11(13)2)26-10-14(21)19-7-5-6-15(22)24-3/h8H,4-7,10H2,1-3H3,(H,19,21)