(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H24FNO4S MolecularWeight: 441.515063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C24H24FNO4S/c25-18-10-16-13-28-15-30-22(16)17(11-18)14-29-23(27)24(8-4-1-5-9-24)12-21-26-19-6-2-3-7-20(19)31-21/h2-3,6-7,10-11H,1,4-5,8-9,12-15H2