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

Systemtic Name: ethyl 4-[4-(4-ethylphenyl)-6-oxidanylidene-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Openeye Name: ethyl 4-[4-(4-ethylphenyl)-6-oxo-3-(2-thienyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate CAS Name: 4-[4-(4-ethylphenyl)-6-oxo-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-ethylphenyl)-6-oxo-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Traditional Name: 4-[4-(4-ethylphenyl)-6-keto-3-(2-thienyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=C(NN=C3C(=O)N2C4=CC=C(C=C4)C(=O)OCC)C5=CC=CS5

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3=C(NN=C3C(=O)N2C4=CC=C(C=C4)C(=O)OCC)C5=CC=CS5

InChI

InChI=1S/C26H23N3O3S/c1-3-16-7-9-17(10-8-16)24-21-22(20-6-5-15-33-20)27-28-23(21)25(30)29(24)19-13-11-18(12-14-19)26(31)32-4-2/h5-15,24H,3-4H2,1-2H3,(H,27,28)