ethyl (2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C24H19FN2O2S MolecularWeight: 418.483263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H19FN2O2S/c1-2-29-24(28)22(17-8-4-3-5-9-17)30-23-20-11-7-6-10-19(20)21(26-27-23)16-12-14-18(25)15-13-16/h3-15,22H,2H2,1H3/t22-/m0/s1