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

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

CCC(C(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OCC)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OCC)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O6S/c1-6-12(21-9(3)8-13(20-21)22(26)27)16(24)19-17-14(18(25)28-7-2)10(4)15(29-17)11(5)23/h8,12H,6-7H2,1-5H3,(H,19,24)