ethyl 4-[1,3-bis(oxidanylidene)-4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[1,3-dioxo-4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-isoquinolyl]benzoate CAS Name: 4-[1,3-dioxo-4-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-2-isoquinolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-dioxo-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]isoquinolin-2-yl]benzoate Traditional Name: 4-[1,3-diketo-4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-isoquinolyl]benzoic acid ethyl ester Formula: C32H23N3O4S MolecularWeight: 545.60772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C2=O

InChI

InChI=1S/C32H23N3O4S/c1-2-39-32(38)21-14-16-24(17-15-21)35-30(36)26-12-7-6-11-25(26)27(31(35)37)19-22-20-34(23-9-4-3-5-10-23)33-29(22)28-13-8-18-40-28/h3-20H,2H2,1H3