(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (3-methoxycarbonyl-4-methyl-2-quinolyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-methoxycarbonyl-4-methylquinolin-2-yl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (3-carbomethoxy-4-methyl-2-quinolyl)methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC4=C(C=C3)N=CS4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC4=C(C=C3)N=CS4)C(=O)OC

InChI

InChI=1S/C21H16N2O4S/c1-12-14-5-3-4-6-15(14)23-17(19(12)21(25)26-2)10-27-20(24)13-7-8-16-18(9-13)28-11-22-16/h3-9,11H,10H2,1-2H3