4-oxidanylidene-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-(2-oxo-2-phenothiazin-10-yl-ethyl)phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-(10-phenothiazinyl)ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-(2-oxo-2-phenothiazin-10-ylethyl)phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-(2-keto-2-phenothiazin-10-yl-ethyl)phthalazine-1-carboxylic acid Formula: C23H15N3O4S MolecularWeight: 429.4479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C23H15N3O4S/c27-20(13-25-22(28)15-8-2-1-7-14(15)21(24-25)23(29)30)26-16-9-3-5-11-18(16)31-19-12-6-4-10-17(19)26/h1-12H,13H2,(H,29,30)