3-[(4-bromophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(4-bromophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(4-bromophenyl)sulfanylmethyl]benzofuran-2-carboxylic acid CAS Name: 3-[[(4-bromophenyl)thio]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(4-bromophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[(4-bromophenyl)thio]methyl]coumarilic acid Formula: C16H11BrO3S MolecularWeight: 363.22574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrO3S/c17-10-5-7-11(8-6-10)21-9-13-12-3-1-2-4-14(12)20-15(13)16(18)19/h1-8H,9H2,(H,18,19)