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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C31H21ClN2O3S MolecularWeight: 537.02804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C31H21ClN2O3S/c1-19-29(22-11-2-3-12-23(22)33-30(19)20-9-8-10-21(32)17-20)31(36)37-18-28(35)34-24-13-4-6-15-26(24)38-27-16-7-5-14-25(27)34/h2-17H,18H2,1H3