ethyl 5-methyl-2-(2-methylpropanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-(2-methylpropanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(2-methylpropanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 5-methyl-2-[(2-methyl-1-oxopropyl)amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(2-methylpropanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(isobutyrylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-5-25-18(22)15-14(12-6-8-13(9-7-12)20(23)24)11(4)26-17(15)19-16(21)10(2)3/h6-10H,5H2,1-4H3,(H,19,21)