ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(4-fluorophenyl)acryloyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H19FN2O5S MolecularWeight: 454.470763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C=CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H19FN2O5S/c1-3-31-23(28)21-20(16-7-11-18(12-8-16)26(29)30)14(2)32-22(21)25-19(27)13-6-15-4-9-17(24)10-5-15/h4-13H,3H2,1-2H3,(H,25,27)