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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[4-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[4-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6S/c1-5-28-18(25)15-11(3)16(12(4)23)29-17(15)19-14(24)7-6-8-21-10(2)9-13(20-21)22(26)27/h9H,5-8H2,1-4H3,(H,19,24)