[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C25H23NO5S/c1-29-17-11-12-22(30-2)18(15-17)21(27)16-31-25(28)13-14-26-19-7-3-5-9-23(19)32-24-10-6-4-8-20(24)26/h3-12,15H,13-14,16H2,1-2H3