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

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)N)C)C(=O)OC(C)C)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)N)C)C(=O)OC(C)C)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O6S/c1-5-11(21-7-10(6-19-21)22(26)27)15(24)20-16-12(17(25)28-8(2)3)9(4)13(29-16)14(18)23/h6-8,11H,5H2,1-4H3,(H2,18,23)(H,20,24)