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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid (2-anilinothiazol-4-yl)methyl ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5)OC

InChI

InChI=1S/C28H23N3O4S/c1-33-25-13-12-18(14-26(25)34-2)24-15-22(21-10-6-7-11-23(21)31-24)27(32)35-16-20-17-36-28(30-20)29-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,29,30)