5-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[(3-chloro-4-fluorophenyl)thio]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[(3-chloro-4-fluoro-phenyl)thio]methyl]-2-methyl-3-furoic acid Formula: C13H10ClFO3S MolecularWeight: 300.733103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C13H10ClFO3S/c1-7-10(13(16)17)4-8(18-7)6-19-9-2-3-12(15)11(14)5-9/h2-5H,6H2,1H3,(H,16,17)