1,3-benzothiazol-2-ylmethyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O2S/c1-14-17(15(2)24(23-14)16-8-4-3-5-9-16)12-21(25)26-13-20-22-18-10-6-7-11-19(18)27-20/h3-11H,12-13H2,1-2H3