[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-keto-ethyl] ester Formula: C25H19N3O6S MolecularWeight: 489.49986

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H19N3O6S/c29-23(26-24(30)21-14-32-19-9-4-5-10-20(19)34-21)15-33-25(31)18-13-17(22-11-6-12-35-22)27-28(18)16-7-2-1-3-8-16/h1-13,21H,14-15H2,(H,26,29,30)