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

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid isopropyl ester Formula: C16H19N5O6S MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H19N5O6S/c1-8(2)27-16(24)12-9(3)13(14(17)23)28-15(12)19-11(22)4-5-20-7-10(6-18-20)21(25)26/h6-8H,4-5H2,1-3H3,(H2,17,23)(H,19,22)