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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)propoxy]benzoate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-[1-oxo-4-(2-thienyl)phthalazin-2-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[1-keto-4-(2-thienyl)phthalazin-2-yl]propoxy]benzoic acid ethyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C24H22N2O5S/c1-2-30-24(29)16-9-11-18(12-10-16)31-15-17(27)14-26-23(28)20-7-4-3-6-19(20)22(25-26)21-8-5-13-32-21/h3-13,17,27H,2,14-15H2,1H3/t17-/m1/s1