[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] ester Formula: C19H15BrO3S3 MolecularWeight: 467.4196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2SCCS2)Br)OC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C(=CC(=C1)C2SCCS2)Br)OC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C19H15BrO3S3/c1-22-14-9-12(19-24-6-7-25-19)8-13(20)17(14)23-18(21)16-10-11-4-2-3-5-15(11)26-16/h2-5,8-10,19H,6-7H2,1H3