phenyl 2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanesulfonate

Systemtic Name: phenyl 2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanesulfonate Openeye Name: phenyl 2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]ethanesulfonate CAS Name: 2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)ethanesulfonate Traditional Name: 2-[1-keto-4-(2-thienyl)phthalazin-2-yl]ethanesulfonic acid phenyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C20H16N2O4S2/c23-20-17-10-5-4-9-16(17)19(18-11-6-13-27-18)21-22(20)12-14-28(24,25)26-15-7-2-1-3-8-15/h1-11,13H,12,14H2