1,3-benzothiazol-2-ylmethyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19N3O2S/c1-11-13(12(2)20(3)19-11)8-9-17(21)22-10-16-18-14-6-4-5-7-15(14)23-16/h4-7H,8-10H2,1-3H3