[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C20H18N2O4S2/c1-22-18(23)14-6-4-3-5-13(14)17(21-22)19(24)26-15-8-7-12(11-16(15)25-2)20-27-9-10-28-20/h3-8,11,20H,9-10H2,1-2H3