(2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid (2-anilinothiazol-4-yl)methyl ester Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2S/c1-18-24(22-14-8-9-15-23(22)30-25(18)19-10-4-2-5-11-19)26(31)32-16-21-17-33-27(29-21)28-20-12-6-3-7-13-20/h2-15,17H,16H2,1H3,(H,28,29)