(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid (2-anilinothiazol-4-yl)methyl ester Formula: C25H18N4O2S MolecularWeight: 438.50102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C25H18N4O2S/c30-24(31-15-19-16-32-25(28-19)27-18-6-2-1-3-7-18)21-14-23(17-10-12-26-13-11-17)29-22-9-5-4-8-20(21)22/h1-14,16H,15H2,(H,27,28)