ethyl 4,5-dimethyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[1-[(2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-4-29-20(26)17-12(2)13(3)31-19(17)21-18(25)14-9-10-23(22-14)11-30-16-8-6-5-7-15(16)24(27)28/h5-10H,4,11H2,1-3H3,(H,21,25)