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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O6S/c1-4-5-27-16(24)11-8(2)12(13(17)22)28-15(11)19-14(23)9(3)20-7-10(6-18-20)21(25)26/h6-7,9H,4-5H2,1-3H3,(H2,17,22)(H,19,23)