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

Systemtic Name: (4-bromanyl-2-tert-butyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-bromo-2-tert-butyl-phenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-bromo-2-tert-butylphenyl) ester IUPAC Name: (4-bromo-2-tert-butylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-bromo-2-tert-butyl-phenyl) ester Formula: C19H16BrClO2S MolecularWeight: 423.75114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrClO2S/c1-19(2,3)13-10-11(20)8-9-14(13)23-18(22)17-16(21)12-6-4-5-7-15(12)24-17/h4-10H,1-3H3