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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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