[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-(trifluoromethyl)-3-pyridinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-(trifluoromethyl)nicotinic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H14F3NO3S2 MolecularWeight: 401.42317

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CN=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3NO3S2/c1-23-13-8-10(16-25-6-7-26-16)2-4-12(13)24-15(22)11-3-5-14(21-9-11)17(18,19)20/h2-5,8-9,16H,6-7H2,1H3