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

Systemtic Name: 2-[[6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[6-methoxy-2-phenoxy-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C22H18F3NO4S MolecularWeight: 449.44283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=C(C=CC2=C1C=CC(=C2C(F)(F)F)OC)OC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=C(C=CC2=C1C=CC(=C2C(F)(F)F)OC)OC3=CC=CC=C3

InChI

InChI=1S/C22H18F3NO4S/c1-26(12-18(27)28)21(31)19-14-8-11-17(29-2)20(22(23,24)25)15(14)9-10-16(19)30-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,27,28)