[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-ethyl] ester Formula: C19H12ClF3N2O3S MolecularWeight: 440.82339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H12ClF3N2O3S/c20-14-8-12(19(21,22)23)9-24-17(14)25-15(26)10-28-18(27)16-13(6-7-29-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,24,25,26)