(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methylquinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methylquinoline-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H18N2O3S/c1-16-14-18(17-8-2-3-9-19(17)26-16)25(29)30-15-24(28)27-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)27/h2-14H,15H2,1H3