3-[(5-methylthiophen-2-yl)methyl-phenethyl-carbamoyl]-6-(trifluoromethyl)pyridin-2-olate

Systemtic Name: 3-[(5-methylthiophen-2-yl)methyl-phenethyl-carbamoyl]-6-(trifluoromethyl)pyridin-2-olate Openeye Name: 3-[(5-methyl-2-thienyl)methyl-phenethyl-carbamoyl]-6-(trifluoromethyl)pyridin-2-olate CAS Name: 3-[[(5-methyl-2-thiophenyl)methyl-phenethylamino]-oxomethyl]-6-(trifluoromethyl)-2-pyridinolate IUPAC Name: 3-[(5-methylthiophen-2-yl)methyl-phenethylcarbamoyl]-6-(trifluoromethyl)pyridin-2-olate Traditional Name: 3-[(5-methyl-2-thienyl)methyl-phenethyl-carbamoyl]-6-(trifluoromethyl)pyridin-2-olate Formula: C21H18F3N2O2S- MolecularWeight: 419.44003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=C(N=C(C=C3)C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=C(N=C(C=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C21H19F3N2O2S/c1-14-7-8-16(29-14)13-26(12-11-15-5-3-2-4-6-15)20(28)17-9-10-18(21(22,23)24)25-19(17)27/h2-10H,11-13H2,1H3,(H,25,27)/p-1