(2-acetamido-1,3-thiazol-4-yl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C25H23N3O6S/c1-14(29)26-25-27-16(13-35-25)12-34-24(30)18-11-20(28-19-8-6-5-7-17(18)19)15-9-21(31-2)23(33-4)22(10-15)32-3/h5-11,13H,12H2,1-4H3,(H,26,27,29)