ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C21H23N5O3S/c1-3-29-21(28)17-12-16(13-22)20(24-15(17)2)30-14-19(27)26-10-8-25(9-11-26)18-6-4-5-7-23-18/h4-7,12H,3,8-11,14H2,1-2H3