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

Systemtic Name: 4-[(4R)-6-oxidanylidene-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Openeye Name: 4-[(4R)-6-oxo-3-phenyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate CAS Name: 4-[(4R)-6-oxo-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate IUPAC Name: 4-[(4R)-6-oxo-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Traditional Name: 4-[(4R)-6-keto-3-phenyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Formula: C22H14N3O3S- MolecularWeight: 400.42986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)C(=O)[O-])C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC3=C2[C@@H](N(C3=O)C4=CC=C(C=C4)C(=O)[O-])C5=CC=CS5

InChI

InChI=1S/C22H15N3O3S/c26-21-19-17(18(23-24-19)13-5-2-1-3-6-13)20(16-7-4-12-29-16)25(21)15-10-8-14(9-11-15)22(27)28/h1-12,20H,(H,23,24)(H,27,28)/p-1/t20-/m0/s1