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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[3-(4-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[3-(4-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[3-(4-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[3-(4-nitrophenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN2O5S/c1-2-30-22(27)20-18(15-6-8-16(23)9-7-15)13-31-21(20)24-19(26)12-5-14-3-10-17(11-4-14)25(28)29/h3-13H,2H2,1H3,(H,24,26)