2-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S/c1-2-21(28)16-9-11-18(12-10-16)30-15-17(27)14-26-24(29)20-7-4-3-6-19(20)23(25-26)22-8-5-13-31-22/h3-13,17,27H,2,14-15H2,1H3/t17-/m1/s1