(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,3-dioxo-5-isoindolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)isoindoline-5-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C26H19N3O6S MolecularWeight: 501.51056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CS5

InChI

InChI=1S/C26H19N3O6S/c1-15-22(25(33)29(27(15)2)17-7-4-3-5-8-17)28-23(31)18-11-10-16(13-19(18)24(28)32)26(34)35-14-20(30)21-9-6-12-36-21/h3-13H,14H2,1-2H3