ethyl 5-[[2-[bis(fluoranyl)methoxy]-5-bromanyl-phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2-[bis(fluoranyl)methoxy]-5-bromanyl-phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[5-bromo-2-(difluoromethoxy)phenyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H13BrF2N2O4S MolecularWeight: 459.261926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)Br)OC(F)F)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)Br)OC(F)F)C#N)C

InChI

InChI=1S/C17H13BrF2N2O4S/c1-3-25-16(24)13-8(2)11(7-21)15(27-13)22-14(23)10-6-9(18)4-5-12(10)26-17(19)20/h4-6,17H,3H2,1-2H3,(H,22,23)