[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C24H19N3O5S/c1-15(23(28)25-16-9-10-20-21(12-16)31-14-30-20)32-24(29)19-13-18(22-8-5-11-33-22)26-27(19)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,25,28)