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

Systemtic Name: methyl 3-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C18H18N4O3S/c1-25-18(24)16-14(6-9-26-16)21-17(23)13-4-7-22(8-5-13)15-3-2-12(10-19)11-20-15/h2-3,6,9,11,13H,4-5,7-8H2,1H3,(H,21,23)