methyl 4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate

Systemtic Name: methyl 4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate Openeye Name: methyl 4-(2-methoxy-2-oxo-ethyl)sulfanyl-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate CAS Name: 4-[(2-methoxy-2-oxoethyl)thio]-2-(trifluoromethyl)-7-thieno[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-methoxy-2-oxoethyl)sulfanyl-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate Traditional Name: 4-[(2-keto-2-methoxy-ethyl)thio]-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylic acid methyl ester Formula: C13H10F3NO4S2 MolecularWeight: 365.34801

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=NC2=C(SC=C12)C(=O)OC)C(F)(F)F

Isomeric SMILES

COC(=O)CSC1=CC(=NC2=C(SC=C12)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C13H10F3NO4S2/c1-20-9(18)5-22-7-3-8(13(14,15)16)17-10-6(7)4-23-11(10)12(19)21-2/h3-4H,5H2,1-2H3