2-[[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioylamino]ethanoic acid

Systemtic Name: 2-[[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioylamino]ethanoic acid Openeye Name: 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid CAS Name: 2-[[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid Traditional Name: 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid Formula: C15H12F3NO3S MolecularWeight: 343.32089

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC=C2)C(=S)NCC(=O)O)C(F)(F)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC=C2)C(=S)NCC(=O)O)C(F)(F)F

InChI

InChI=1S/C15H12F3NO3S/c1-22-11-6-5-8-9(13(11)15(16,17)18)3-2-4-10(8)14(23)19-7-12(20)21/h2-6H,7H2,1H3,(H,19,23)(H,20,21)