(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H17N3O4S MolecularWeight: 443.47448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H17N3O4S/c1-26-23(29)16-9-3-2-8-15(16)22(25-26)24(30)31-14-21(28)27-17-10-4-6-12-19(17)32-20-13-7-5-11-18(20)27/h2-13H,14H2,1H3