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

Systemtic Name: 2-[[2-chloranyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-chloro-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-chloro-6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-chloro-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-chloro-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C16H13ClF3NO3S MolecularWeight: 391.79253

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClF3NO3S/c1-21(7-12(22)23)15(25)13-8-4-6-11(24-2)14(16(18,19)20)9(8)3-5-10(13)17/h3-6H,7H2,1-2H3,(H,22,23)