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

Systemtic Name: methyl 3-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-[5-(trifluoromethyl)-2-pyridyl]isonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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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(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O3S/c1-27-17(26)15-13(6-9-28-15)23-16(25)11-4-7-24(8-5-11)14-3-2-12(10-22-14)18(19,20)21/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,23,25)