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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6S/c1-4-27-17(24)14-10(2)15(11(3)22)28-16(14)19-13(23)6-5-7-20-9-12(8-18-20)21(25)26/h8-9H,4-7H2,1-3H3,(H,19,23)