2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[4,6-dimethoxy-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C17H16F3NO4S MolecularWeight: 387.37345

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=C2C=CC(=C(C2=C(C=C1)OC)C(F)(F)F)OC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=C2C=CC(=C(C2=C(C=C1)OC)C(F)(F)F)OC

InChI

InChI=1S/C17H16F3NO4S/c1-21(8-13(22)23)16(26)10-5-6-11(24-2)14-9(10)4-7-12(25-3)15(14)17(18,19)20/h4-7H,8H2,1-3H3,(H,22,23)