(2-tert-butyl-4-methyl-phenyl) 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 3-chloro-5-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-5-methoxy-1-benzothiophene-2-carboxylic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-5-methoxy-benzothiophene-2-carboxylic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C21H21ClO3S MolecularWeight: 388.90764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO3S/c1-12-6-8-16(15(10-12)21(2,3)4)25-20(23)19-18(22)14-11-13(24-5)7-9-17(14)26-19/h6-11H,1-5H3