ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H21BrFNO4S MolecularWeight: 518.395243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C24H21BrFNO4S/c1-3-30-20-11-8-17(25)13-16(20)7-12-21(28)27-23-22(24(29)31-4-2)19(14-32-23)15-5-9-18(26)10-6-15/h5-14H,3-4H2,1-2H3,(H,27,28)