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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C33H26N2O6S MolecularWeight: 578.63434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C33H26N2O6S/c1-38-27-16-20(17-28(39-2)32(27)40-3)24-18-22(21-10-4-5-11-23(21)34-24)33(37)41-19-31(36)35-25-12-6-8-14-29(25)42-30-15-9-7-13-26(30)35/h4-18H,19H2,1-3H3