ethyl 2-[[(E)-3-(4-bromanyl-2-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-bromanyl-2-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-bromo-2-fluoro-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-bromo-2-fluorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-bromo-2-fluorophenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-bromo-2-fluoro-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H12BrFN2O3S MolecularWeight: 423.256183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C(C=C(C=C2)Br)F)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=C(C=C(C=C2)Br)F)/C#N

InChI

InChI=1S/C17H12BrFN2O3S/c1-2-24-17(23)13-5-6-25-16(13)21-15(22)11(9-20)7-10-3-4-12(18)8-14(10)19/h3-8H,2H2,1H3,(H,21,22)/b11-7+