(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H22N2O5S/c1-2-3-14-28-25(31)18-13-12-17(15-19(18)26(28)32)27(33)34-16-24(30)29-20-8-4-6-10-22(20)35-23-11-7-5-9-21(23)29/h4-13,15H,2-3,14,16H2,1H3