(2-tert-butyl-5-methyl-phenyl) 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (2-tert-butyl-5-methyl-phenyl) 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (2-tert-butyl-5-methyl-phenyl) 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid (2-tert-butyl-5-methylphenyl) ester IUPAC Name: (2-tert-butyl-5-methylphenyl) 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid (2-tert-butyl-5-methyl-phenyl) ester Formula: C20H18Cl2O2S MolecularWeight: 393.32672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2O2S/c1-11-5-8-14(20(2,3)4)15(9-11)24-19(23)18-17(22)13-7-6-12(21)10-16(13)25-18/h5-10H,1-4H3