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

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (2-bromo-4-methyl-phenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (2-bromo-4-methyl-phenyl) ester Formula: C16H10BrClO2S MolecularWeight: 381.6714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

InChI

InChI=1S/C16H10BrClO2S/c1-9-6-7-12(11(17)8-9)20-16(19)15-14(18)10-4-2-3-5-13(10)21-15/h2-8H,1H3