1,3-benzothiazol-2-ylmethyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC2=NC3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC2=NC3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C16H13ClN2O2S/c1-9-7-10(2)18-15(17)14(9)16(20)21-8-13-19-11-5-3-4-6-12(11)22-13/h3-7H,8H2,1-2H3