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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C32H24N2O5S MolecularWeight: 548.60836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)OC

InChI

InChI=1S/C32H24N2O5S/c1-37-27-16-15-20(17-28(27)38-2)24-18-22(21-9-3-4-10-23(21)33-24)32(36)39-19-31(35)34-25-11-5-7-13-29(25)40-30-14-8-6-12-26(30)34/h3-18H,19H2,1-2H3