(2,4-ditert-butylphenyl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (2,4-ditert-butylphenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (2,4-ditert-butylphenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (2,4-ditert-butylphenyl) ester IUPAC Name: (2,4-ditert-butylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (2,4-ditert-butylphenyl) ester Formula: C23H25ClO2S MolecularWeight: 400.9614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(C)(C)C

InChI

InChI=1S/C23H25ClO2S/c1-22(2,3)14-11-12-17(16(13-14)23(4,5)6)26-21(25)20-19(24)15-9-7-8-10-18(15)27-20/h7-13H,1-6H3