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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O6S/c1-6-28-18(25)14-9(2)16(12(5)23)29-17(14)19-13(24)7-8-21-11(4)15(22(26)27)10(3)20-21/h6-8H2,1-5H3,(H,19,24)