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

Systemtic Name: propyl 5-aminocarbonyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid propyl ester Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O6S/c1-4-6-28-17(25)12-9(3)13(14(18)23)29-16(12)20-15(24)11(5-2)21-8-10(7-19-21)22(26)27/h7-8,11H,4-6H2,1-3H3,(H2,18,23)(H,20,24)