1,3-benzothiazol-2-ylmethyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2S/c1-10(2)8-21-16(18)15(11(3)20-21)17(22)23-9-14-19-12-6-4-5-7-13(12)24-14/h4-7,10H,8-9H2,1-3H3