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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C24H28N4O4S/c1-3-31-24(30)21-15-19(16-25)23(26-18(21)2)33-17-22(29)28-11-9-27(10-12-28)13-14-32-20-7-5-4-6-8-20/h4-8,15H,3,9-14,17H2,1-2H3