ethyl 4-(3-nitrophenyl)-2-[(4-propan-2-ylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-[(4-propan-2-ylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-isopropylbenzoyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 2-(cumoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-4-30-23(27)20-19(17-6-5-7-18(12-17)25(28)29)13-31-22(20)24-21(26)16-10-8-15(9-11-16)14(2)3/h5-14H,4H2,1-3H3,(H,24,26)