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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H23ClO2S MolecularWeight: 386.93482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)C(C)(C)C

InChI

InChI=1S/C22H23ClO2S/c1-13-10-15(22(3,4)5)11-14(2)17(13)12-25-21(24)20-19(23)16-8-6-7-9-18(16)26-20/h6-11H,12H2,1-5H3