3-[(4-chlorophenyl)-sulfanyl-methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)-sulfanyl-methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)-sulfanyl-methyl]benzofuran-2-carboxylic acid CAS Name: 3-[(4-chlorophenyl)-mercaptomethyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)-sulfanylmethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(4-chlorophenyl)-mercapto-methyl]coumarilic acid Formula: C16H11ClO3S MolecularWeight: 318.77474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)C(C3=CC=C(C=C3)Cl)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)C(C3=CC=C(C=C3)Cl)S

InChI

InChI=1S/C16H11ClO3S/c17-10-7-5-9(6-8-10)15(21)13-11-3-1-2-4-12(11)20-14(13)16(18)19/h1-8,15,21H,(H,18,19)