2-[[3,7-dimethoxy-6-[methoxy(2-methoxyethoxy)methyl]-10-methyl-phenothiazin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3,7-dimethoxy-6-[methoxy(2-methoxyethoxy)methyl]-10-methyl-phenothiazin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3,7-dimethoxy-6-[methoxy(2-methoxyethoxy)methyl]-10-methyl-phenothiazin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3,7-dimethoxy-6-[methoxy(2-methoxyethoxy)methyl]-10-methyl-4-phenothiazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3,7-dimethoxy-6-[methoxy(2-methoxyethoxy)methyl]-10-methylphenothiazin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3,7-dimethoxy-6-[methoxy(2-methoxyethoxy)methyl]-10-methyl-phenothiazin-4-yl]methyl]isoindoline-1,3-quinone Formula: C29H30N2O7S MolecularWeight: 550.6227

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)SC5=C1C=CC(=C5C(OC)OCCOC)OC

Isomeric SMILES

CN1C2=C(C(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)SC5=C1C=CC(=C5C(OC)OCCOC)OC

InChI

InChI=1S/C29H30N2O7S/c1-30-20-10-12-22(35-3)19(16-31-27(32)17-8-6-7-9-18(17)28(31)33)25(20)39-26-21(30)11-13-23(36-4)24(26)29(37-5)38-15-14-34-2/h6-13,29H,14-16H2,1-5H3