ethyl 4-[3-(4-ethoxyphenyl)-6-oxidanylidene-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-ethoxyphenyl)-6-oxidanylidene-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Openeye Name: ethyl 4-[3-(4-ethoxyphenyl)-6-oxo-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate CAS Name: 4-[3-(4-ethoxyphenyl)-6-oxo-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-ethoxyphenyl)-6-oxo-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Traditional Name: 4-[6-keto-3-p-phenetyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)C(=O)OCC)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)C(=O)OCC)C5=CC=CS5

InChI

InChI=1S/C26H23N3O4S/c1-3-32-19-13-9-16(10-14-19)22-21-23(28-27-22)25(30)29(24(21)20-6-5-15-34-20)18-11-7-17(8-12-18)26(31)33-4-2/h5-15,24H,3-4H2,1-2H3,(H,27,28)