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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C(C)C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC(C)C)[N+](=O)[O-]

InChI

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