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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H16ClN3O2S MolecularWeight: 397.87794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NC3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H16ClN3O2S/c1-13-18(19(21)24(23-13)11-14-7-3-2-4-8-14)20(25)26-12-17-22-15-9-5-6-10-16(15)27-17/h2-10H,11-12H2,1H3