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

Systemtic Name: (2-bromanyl-4-phenyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (2-bromo-4-phenyl-phenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (2-bromo-4-phenylphenyl) ester IUPAC Name: (2-bromo-4-phenylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (2-bromo-4-phenyl-phenyl) ester Formula: C21H12BrClO2S MolecularWeight: 443.74078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)Br

InChI

InChI=1S/C21H12BrClO2S/c22-16-12-14(13-6-2-1-3-7-13)10-11-17(16)25-21(24)20-19(23)15-8-4-5-9-18(15)26-20/h1-12H