5-chloranyl-3-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxylic acid Openeye Name: 5-chloro-3-(2-methylsulfanylphenyl)benzofuran-2-carboxylic acid CAS Name: 5-chloro-3-[2-(methylthio)phenyl]-2-benzofurancarboxylic acid IUPAC Name: 5-chloro-3-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-chloro-3-[2-(methylthio)phenyl]coumarilic acid Formula: C16H11ClO3S MolecularWeight: 318.77474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(OC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C2=C(OC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H11ClO3S/c1-21-13-5-3-2-4-10(13)14-11-8-9(17)6-7-12(11)20-15(14)16(18)19/h2-8H,1H3,(H,18,19)