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

Systemtic Name: propyl 5-aminocarbonyl-4-methyl-2-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 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)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O6S/c1-3-8-27-16(24)12-9(2)13(14(17)23)28-15(12)18-11(22)5-7-20-6-4-10(19-20)21(25)26/h4,6H,3,5,7-8H2,1-2H3,(H2,17,23)(H,18,22)