[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H17N3O5S2 MolecularWeight: 479.52818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C23H17N3O5S2/c1-25-21(28)14-7-6-13(10-15(14)22(25)29)23(30)31-12-20(27)26-17(19-5-3-9-33-19)11-16(24-26)18-4-2-8-32-18/h2-10,17H,11-12H2,1H3