(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(3,4,5-trimethoxyphenyl)propanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

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