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

Systemtic Name: 2-[[6-methoxy-2-methyl-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[6-methoxy-2-methyl-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[6-methoxy-2-methyl-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[6-methoxy-2-methyl-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[6-methoxy-2-methyl-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C17H16F3NO3S MolecularWeight: 371.37405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(C=C2)OC)C(F)(F)F)C(=S)N(C)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(C=C2)OC)C(F)(F)F)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C17H16F3NO3S/c1-9-4-5-11-10(14(9)16(25)21(2)8-13(22)23)6-7-12(24-3)15(11)17(18,19)20/h4-7H,8H2,1-3H3,(H,22,23)