(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H22Cl2O2S MolecularWeight: 421.37988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C)C(C)(C)C

InChI

InChI=1S/C22H22Cl2O2S/c1-12-8-14(22(3,4)5)9-13(2)17(12)11-26-21(25)20-19(24)16-7-6-15(23)10-18(16)27-20/h6-10H,11H2,1-5H3