ethyl 5-[[1-[bis(fluoranyl)methyl]pyrazol-3-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[1-[bis(fluoranyl)methyl]pyrazol-3-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[1-(difluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C14H12F2N4O3S MolecularWeight: 354.331886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)C(F)F)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)C(F)F)C#N)C

InChI

InChI=1S/C14H12F2N4O3S/c1-3-23-13(22)10-7(2)8(6-17)12(24-10)18-11(21)9-4-5-20(19-9)14(15)16/h4-5,14H,3H2,1-2H3,(H,18,21)