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

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[4-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[4-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-5-26-17(23)15-11(3)12(4)27-16(15)18-14(22)7-6-8-20-10(2)9-13(19-20)21(24)25/h9H,5-8H2,1-4H3,(H,18,22)