2-(2-fluorophenyl)sulfanylethyl 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)propionic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C19H17FN2O4S MolecularWeight: 388.412683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)OCCSC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)OCCSC3=CC=CC=C3F

InChI

InChI=1S/C19H17FN2O4S/c20-15-7-3-4-8-16(15)27-12-11-26-17(23)9-10-22-19(25)14-6-2-1-5-13(14)18(24)21-22/h1-8H,9-12H2,(H,21,24)