[2-oxidanylidene-2-(phenothiazin-10-ylamino)ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenothiazin-10-ylamino)ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(phenothiazin-10-ylamino)ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenothiazin-10-ylamino)ethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-2-(phenothiazin-10-ylamino)ethyl] ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H19N3O3S/c1-16-14-18(17-8-2-3-9-19(17)26-16)25(30)31-15-24(29)27-28-20-10-4-6-12-22(20)32-23-13-7-5-11-21(23)28/h2-14H,15H2,1H3,(H,27,29)