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

Systemtic Name: 2-[[6-methoxy-2-phenylmethoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-benzyloxy-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[6-methoxy-2-phenylmethoxy-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[6-methoxy-2-phenylmethoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-benzoxy-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C23H20F3NO4S MolecularWeight: 463.46941

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=C(C=CC2=C1C=CC(=C2C(F)(F)F)OC)OCC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=C(C=CC2=C1C=CC(=C2C(F)(F)F)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20F3NO4S/c1-27(12-19(28)29)22(32)20-15-8-11-18(30-2)21(23(24,25)26)16(15)9-10-17(20)31-13-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,28,29)