(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C16H14BrClO2S MolecularWeight: 385.70316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC3=C(S2)CCCC3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC3=C(S2)CCCC3)Cl)Br

InChI

InChI=1S/C16H14BrClO2S/c1-9-6-11(17)8-12(18)15(9)20-16(19)14-7-10-4-2-3-5-13(10)21-14/h6-8H,2-5H2,1H3