(4-bromanyl-2,6-dimethyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C17H12BrClO2S MolecularWeight: 395.69798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)Br

InChI

InChI=1S/C17H12BrClO2S/c1-9-7-11(18)8-10(2)15(9)21-17(20)16-14(19)12-5-3-4-6-13(12)22-16/h3-8H,1-2H3