(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H20N2O5S MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O5S/c29-23(28-19-10-3-5-12-21(19)34-22-13-6-4-11-20(22)28)16-33-24(30)14-7-15-27-25(31)17-8-1-2-9-18(17)26(27)32/h1-6,8-13H,7,14-16H2