methyl 4-[2-oxidanyl-3-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[1-oxo-4-(2-thienyl)phthalazin-2-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[1-keto-4-(2-thienyl)phthalazin-2-yl]propoxy]benzoic acid methyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C23H20N2O5S/c1-29-23(28)15-8-10-17(11-9-15)30-14-16(26)13-25-22(27)19-6-3-2-5-18(19)21(24-25)20-7-4-12-31-20/h2-12,16,26H,13-14H2,1H3