ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-methyl-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(piperonyloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H19N3O8S MolecularWeight: 497.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H19N3O8S/c1-3-32-23(29)18-12(2)19(21(28)24-14-5-4-6-15(10-14)26(30)31)35-22(18)25-20(27)13-7-8-16-17(9-13)34-11-33-16/h4-10H,3,11H2,1-2H3,(H,24,28)(H,25,27)