(2R)-2-(4-methylphthalazin-1-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: (2R)-2-(4-methylphthalazin-1-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: (2R)-2-(4-methylphthalazin-1-yl)sulfanyl-2-phenyl-acetate CAS Name: (2R)-2-[(4-methyl-1-phthalazinyl)thio]-2-phenylacetate IUPAC Name: (2R)-2-(4-methylphthalazin-1-yl)sulfanyl-2-phenylacetate Traditional Name: (2R)-2-[(4-methylphthalazin-1-yl)thio]-2-phenyl-acetate Formula: C17H13N2O2S- MolecularWeight: 309.36232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)S[C@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H14N2O2S/c1-11-13-9-5-6-10-14(13)16(19-18-11)22-15(17(20)21)12-7-3-2-4-8-12/h2-10,15H,1H3,(H,20,21)/p-1/t15-/m1/s1