ethyl 4,5-dimethyl-2-[2-[(4-nitrophenyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(4-nitrophenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-nitroanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(4-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(4-nitroanilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-4-25-17(22)15-10(2)11(3)26-16(15)19-14(21)9-18-12-5-7-13(8-6-12)20(23)24/h5-8,18H,4,9H2,1-3H3,(H,19,21)