ethyl 5-aminocarbonyl-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C15H17N5O6S MolecularWeight: 395.39038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O6S/c1-3-26-15(23)11-8(2)12(13(16)22)27-14(11)17-10(21)5-7-19-6-4-9(18-19)20(24)25/h4,6H,3,5,7H2,1-2H3,(H2,16,22)(H,17,21)