ethyl 4,5-dimethyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5S/c1-4-25-16(22)14-10(2)11(3)26-15(14)18-13(21)6-5-7-19-9-12(8-17-19)20(23)24/h8-9H,4-7H2,1-3H3,(H,18,21)