[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C24H15ClN2O5S MolecularWeight: 478.9043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C24H15ClN2O5S/c1-26-22(29)15-8-6-13(10-16(15)23(26)30)24(31)32-12-21(28)27-17-4-2-3-5-19(17)33-20-9-7-14(25)11-18(20)27/h2-11H,12H2,1H3