propan-2-yl 4-(4-fluorophenyl)-5-methyl-2-[3-(5-nitrofuran-2-yl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 4-(4-fluorophenyl)-5-methyl-2-[3-(5-nitrofuran-2-yl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 4-(4-fluorophenyl)-5-methyl-2-[3-(5-nitro-2-furyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-5-methyl-2-[[3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-fluorophenyl)-5-methyl-2-[3-(5-nitrofuran-2-yl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-methyl-2-[[3-(5-nitro-2-furyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H19FN2O6S MolecularWeight: 458.459463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-])C(=O)OC(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-])C(=O)OC(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN2O6S/c1-12(2)30-22(27)20-19(14-4-6-15(23)7-5-14)13(3)32-21(20)24-17(26)10-8-16-9-11-18(31-16)25(28)29/h4-12H,1-3H3,(H,24,26)