ethyl 5-bromanyl-4-(2-methylpropyl)-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-4-(2-methylpropyl)-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-4-isobutyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-bromo-4-(2-methylpropyl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-4-(2-methylpropyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-bromo-4-isobutyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC(C)C)Br)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC(C)C)Br)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN2O5S/c1-4-26-18(23)14-13(8-10(2)3)15(19)27-17(14)20-16(22)11-6-5-7-12(9-11)21(24)25/h5-7,9-10H,4,8H2,1-3H3,(H,20,22)