1,3-benzothiazol-2-ylmethyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18ClN3O2S/c1-13-20(14(2)25(24-13)11-15-7-3-4-8-16(15)22)21(26)27-12-19-23-17-9-5-6-10-18(17)28-19/h3-10H,11-12H2,1-2H3