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

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[2-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(3-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[2-(3-methyl-4-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=C(SC(=C1C(=O)OC(C)C)NC(=O)C(C)N2C=C(C(=N2)C)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C(C)N2C=C(C(=N2)C)[N+](=O)[O-])C(=O)N

InChI

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