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

Systemtic Name: 2-[methoxycarbonyl-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-amino]ethanoic acid Openeye Name: 2-[methoxycarbonyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid CAS Name: 2-[methoxycarbonyl-[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methoxycarbonyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid Traditional Name: 2-[carbomethoxy-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid Formula: C17H14F3NO5S MolecularWeight: 401.35697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC=C2)C(=S)N(CC(=O)O)C(=O)OC)C(F)(F)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC=C2)C(=S)N(CC(=O)O)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C17H14F3NO5S/c1-25-12-7-6-9-10(14(12)17(18,19)20)4-3-5-11(9)15(27)21(8-13(22)23)16(24)26-2/h3-7H,8H2,1-2H3,(H,22,23)