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

Systemtic Name: ethyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-6-27-18(24)15-10(2)13(5)28-17(15)19-14(23)8-7-9-21-12(4)16(22(25)26)11(3)20-21/h6-9H2,1-5H3,(H,19,23)