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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O3S/c1-13(27)24-22-25-14(12-30-22)11-29-21(28)17-10-20(16-7-2-4-8-18(16)23)26-19-9-5-3-6-15(17)19/h2-10,12H,11H2,1H3,(H,24,25,27)