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

Systemtic Name: 2-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C22H20N2O4S/c1-27-16-8-10-17(11-9-16)28-14-15(25)13-24-22(26)19-6-3-2-5-18(19)21(23-24)20-7-4-12-29-20/h2-12,15,25H,13-14H2,1H3/t15-/m1/s1