ethyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H14ClFN2O5S MolecularWeight: 448.851963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClFN2O5S/c1-2-29-20(26)17-14(11-3-6-13(22)7-4-11)10-30-19(17)23-18(25)12-5-8-15(21)16(9-12)24(27)28/h3-10H,2H2,1H3,(H,23,25)