ethyl 5-cyano-6-methyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-[4-(2-thenoyl)piperazino]nicotinic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H20N4O3S/c1-3-26-19(25)15-11-14(12-20)13(2)21-17(15)22-6-8-23(9-7-22)18(24)16-5-4-10-27-16/h4-5,10-11H,3,6-9H2,1-2H3