(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OC

InChI

InChI=1S/C25H20N2O5S/c1-30-16-11-15-12-17(26-24(15)20(13-16)31-2)25(29)32-14-23(28)27-18-7-3-5-9-21(18)33-22-10-6-4-8-19(22)27/h3-13,26H,14H2,1-2H3