ethyl 2-[(4-fluorophenyl)carbonylamino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-fluorophenyl)carbonylamino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]-4-methyl-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-[(4-fluorobenzoyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid ethyl ester Formula: C22H18FN3O6S MolecularWeight: 471.458223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O6S/c1-3-32-22(29)17-12(2)18(20(28)24-15-5-4-6-16(11-15)26(30)31)33-21(17)25-19(27)13-7-9-14(23)10-8-13/h4-11H,3H2,1-2H3,(H,24,28)(H,25,27)