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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[3-(5-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C16H19N5O6S MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O6S/c1-4-27-16(24)12-8(2)13(14(17)23)28-15(12)19-11(22)5-6-20-9(3)10(7-18-20)21(25)26/h7H,4-6H2,1-3H3,(H2,17,23)(H,19,22)