5-ethoxycarbonyl-4-ethylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-4-ethylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-4-ethylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-4-(ethylthio)-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-ethoxycarbonyl-4-ethylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-4-(ethylthio)-2,6-bis(trifluoromethyl)nicotinic acid Formula: C13H11F6NO4S MolecularWeight: 391.286159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1SCC)C(=O)O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1SCC)C(=O)O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H11F6NO4S/c1-3-24-11(23)6-7(25-4-2)5(10(21)22)8(12(14,15)16)20-9(6)13(17,18)19/h3-4H2,1-2H3,(H,21,22)