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

Systemtic Name: ethyl 5-cyano-6-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C19H26N4O3S/c1-5-22-7-9-23(10-8-22)18(24)14(4)27-17-15(12-20)11-16(13(3)21-17)19(25)26-6-2/h11,14H,5-10H2,1-4H3