1,3-benzothiazol-2-ylmethyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-3-4-9-21-16(18)15(11(2)20-21)17(22)23-10-14-19-12-7-5-6-8-13(12)24-14/h5-8H,3-4,9-10H2,1-2H3