(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-methylquinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-methylquinoline-4-carboxylate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylbutan-2-yl) 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC(=NC5=CC=CC=C54)C

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC(=NC5=CC=CC=C54)C

InChI

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