methyl 3,3-dimethoxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanoate

Systemtic Name: methyl 3,3-dimethoxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanoate Openeye Name: methyl 3,3-dimethoxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanoate CAS Name: 3,3-dimethoxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3,3-dimethoxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanoate Traditional Name: 3,3-dimethoxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propionic acid methyl ester Formula: C14H14F3NO4S MolecularWeight: 349.32547

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C1=NC2=C(S1)C=CC(=C2)C(F)(F)F)C(=O)OC)OC

Isomeric SMILES

COC(C(C1=NC2=C(S1)C=CC(=C2)C(F)(F)F)C(=O)OC)OC

InChI

InChI=1S/C14H14F3NO4S/c1-20-12(19)10(13(21-2)22-3)11-18-8-6-7(14(15,16)17)4-5-9(8)23-11/h4-6,10,13H,1-3H3