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

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-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-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl] ester Formula: C22H27ClO5S MolecularWeight: 438.96478

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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)OC)Cl)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClO5S/c1-12(2)15-7-5-13(3)9-17(15)28-19(24)11-27-22(25)21-20(23)16-8-6-14(26-4)10-18(16)29-21/h6,8,10,12-13,15,17H,5,7,9,11H2,1-4H3