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

Systemtic Name: ethyl 3-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-5-(4-methoxyphenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylate CAS Name: 3-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-5-(4-methoxyphenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylate Traditional Name: 3-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C26H26N4O4S/c1-3-34-26(32)24-21(14-22(35-24)18-5-7-20(33-2)8-6-18)29-25(31)19-10-12-30(13-11-19)23-9-4-17(15-27)16-28-23/h4-9,14,16,19H,3,10-13H2,1-2H3,(H,29,31)