1,3-benzothiazol-2-ylmethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetate CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate Traditional Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H23N3O2S/c1-12(2)10-22-14(4)15(13(3)21-22)9-19(23)24-11-18-20-16-7-5-6-8-17(16)25-18/h5-8,12H,9-11H2,1-4H3