methyl (2R)-2-(4-phenylphthalazin-1-yl)sulfanylpropanoate

Systemtic Name: methyl (2R)-2-(4-phenylphthalazin-1-yl)sulfanylpropanoate Openeye Name: methyl (2R)-2-(4-phenylphthalazin-1-yl)sulfanylpropanoate CAS Name: (2R)-2-[(4-phenyl-1-phthalazinyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(4-phenylphthalazin-1-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-phenylphthalazin-1-yl)thio]propionic acid methyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S/c1-12(18(21)22-2)23-17-15-11-7-6-10-14(15)16(19-20-17)13-8-4-3-5-9-13/h3-12H,1-2H3/t12-/m1/s1