[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] ester IUPAC Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl] ester Formula: C21H24ClFO4S MolecularWeight: 426.929263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(C)C

InChI

InChI=1S/C21H24ClFO4S/c1-11(2)14-6-4-12(3)8-16(14)27-18(24)10-26-21(25)20-19(22)15-7-5-13(23)9-17(15)28-20/h5,7,9,11-12,14,16H,4,6,8,10H2,1-3H3