methyl 4-[4-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H18F3N3O4S MolecularWeight: 465.44553

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C21H18F3N3O4S/c1-30-19(29)14-4-2-13(3-5-14)18(28)26-8-10-27(11-9-26)20-25-16-7-6-15(12-17(16)32-20)31-21(22,23)24/h2-7,12H,8-11H2,1H3