(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H18N2O5S/c28-22(27-18-9-3-5-11-20(18)33-21-12-6-4-10-19(21)27)15-32-23(29)13-14-26-24(30)16-7-1-2-8-17(16)25(26)31/h1-12H,13-15H2