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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrClO2S/c1-3-11(2)12-8-9-15(14(20)10-12)23-19(22)18-17(21)13-6-4-5-7-16(13)24-18/h4-11H,3H2,1-2H3