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

Systemtic Name: ethyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN2O5S/c1-3-13-5-7-14(8-6-13)16-12-31-21(19(16)22(27)30-4-2)24-20(26)15-9-10-17(23)18(11-15)25(28)29/h5-12H,3-4H2,1-2H3,(H,24,26)