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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H22N2O3S/c1-3-19-17(2)26(18-10-4-5-11-20(18)28-19)27(31)32-16-25(30)29-21-12-6-8-14-23(21)33-24-15-9-7-13-22(24)29/h4-15H,3,16H2,1-2H3