ethyl 2-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O3S/c1-4-28-21(27)18-13(2)14(3)29-20(18)24-19(26)16-7-9-25(10-8-16)17-6-5-15(11-22)12-23-17/h5-6,12,16H,4,7-10H2,1-3H3,(H,24,26)