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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N4O6S/c1-5-26-16(23)13-9(3)14(10(4)21)27-15(13)17-12(22)7-19-8(2)6-11(18-19)20(24)25/h6H,5,7H2,1-4H3,(H,17,22)