[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C26H25NO6S/c1-30-21-14-17(15-22(31-2)26(21)32-3)20(28)16-33-25(29)12-13-27-18-8-4-6-10-23(18)34-24-11-7-5-9-19(24)27/h4-11,14-15H,12-13,16H2,1-3H3