1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H17N3O2S/c1-11-9-12(2)19(18-11)8-7-16(20)21-10-15-17-13-5-3-4-6-14(13)22-15/h3-6,9H,7-8,10H2,1-2H3