(2-bromanyl-4-tert-butyl-phenyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (2-bromanyl-4-tert-butyl-phenyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (2-bromo-4-tert-butyl-phenyl) 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (2-bromo-4-tert-butylphenyl) ester IUPAC Name: (2-bromo-4-tert-butylphenyl) 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid (2-bromo-4-tert-butyl-phenyl) ester Formula: C20H18BrClO3S MolecularWeight: 453.77712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)Br

InChI

InChI=1S/C20H18BrClO3S/c1-20(2,3)11-5-8-15(14(21)9-11)25-19(23)18-17(22)13-7-6-12(24-4)10-16(13)26-18/h5-10H,1-4H3