[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid [6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl] ester IUPAC Name: (4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid (4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) ester Formula: C34H23N3O5S MolecularWeight: 585.62852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=NN=C(C=C1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)N6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

CC(C(=O)OC1=NN=C(C=C1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)N6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C34H23N3O5S/c1-20(37-32(38)24-11-5-6-12-25(24)33(37)39)34(40)42-31-23(17-21-9-3-2-4-10-21)18-26(35-36-31)22-15-16-28-30(19-22)43-29-14-8-7-13-27(29)41-28/h2-16,18-20H,17H2,1H3