(4-methylcyclohexyl) 4-oxidanylidene-4-[[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]amino]butanoate

Systemtic Name: (4-methylcyclohexyl) 4-oxidanylidene-4-[[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]amino]butanoate Openeye Name: (4-methylcyclohexyl) 4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butanoate CAS Name: 4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butanoic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butanoate Traditional Name: 4-keto-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butyric acid (4-methylcyclohexyl) ester Formula: C19H21F3N2O4S MolecularWeight: 430.44125

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1CCC(CC1)OC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H21F3N2O4S/c1-11-2-4-12(5-3-11)27-17(26)9-8-16(25)24-18-23-14-7-6-13(10-15(14)29-18)28-19(20,21)22/h6-7,10-12H,2-5,8-9H2,1H3,(H,23,24,25)