5-[[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[2-amino-4-(trifluoromethyl)phenyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[2-amino-4-(trifluoromethyl)phenyl]thio]methyl]-2-furoic acid Formula: C13H10F3NO3S MolecularWeight: 317.28361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)N)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)N)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H10F3NO3S/c14-13(15,16)7-1-4-11(9(17)5-7)21-6-8-2-3-10(20-8)12(18)19/h1-5H,6,17H2,(H,18,19)