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

Systemtic Name: 3-[(2-bromophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(2-bromophenyl)sulfanylmethyl]benzofuran-2-carboxylic acid CAS Name: 3-[[(2-bromophenyl)thio]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(2-bromophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[(2-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=CC=C3Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=CC=CC=C3Br

InChI

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