1,3-benzothiazol-2-ylmethyl 2,2,4-trimethylquinoline-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2,2,4-trimethylquinoline-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2,2,4-trimethylquinoline-1-carboxylate CAS Name: 2,2,4-trimethyl-1-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2,2,4-trimethylquinoline-1-carboxylate Traditional Name: 2,2,4-trimethylquinoline-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)OCC3=NC4=CC=CC=C4S3)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)OCC3=NC4=CC=CC=C4S3)(C)C

InChI

InChI=1S/C21H20N2O2S/c1-14-12-21(2,3)23(17-10-6-4-8-15(14)17)20(24)25-13-19-22-16-9-5-7-11-18(16)26-19/h4-12H,13H2,1-3H3