2-[[6-methoxy-5-(trifluoromethylsulfanyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[6-methoxy-5-(trifluoromethylsulfanyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[6-methoxy-5-(trifluoromethylsulfanyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[6-methoxy-5-(trifluoromethylthio)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[6-methoxy-5-(trifluoromethylsulfanyl)naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[6-methoxy-5-(trifluoromethylthio)naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C16H14F3NO3S2 MolecularWeight: 389.41247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2SC(F)(F)F)OC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2SC(F)(F)F)OC

InChI

InChI=1S/C16H14F3NO3S2/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)25-16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)