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

Systemtic Name: 2-[[2-ethoxy-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-ethoxy-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-ethoxy-6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-ethoxy-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-ethoxy-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C18H18F3NO4S MolecularWeight: 401.40003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)C(=C(C=C2)OC)C(F)(F)F)C(=S)N(C)CC(=O)O

Isomeric SMILES

CCOC1=C(C2=C(C=C1)C(=C(C=C2)OC)C(F)(F)F)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C18H18F3NO4S/c1-4-26-12-7-6-11-10(15(12)17(27)22(2)9-14(23)24)5-8-13(25-3)16(11)18(19,20)21/h5-8H,4,9H2,1-3H3,(H,23,24)