methyl 4-(phenylmethylsulfanyl)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate

Systemtic Name: methyl 4-(phenylmethylsulfanyl)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate Openeye Name: methyl 4-benzylsulfanyl-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate CAS Name: 4-(phenylmethylthio)-2-(trifluoromethyl)-7-thieno[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate Traditional Name: 4-(benzylthio)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylic acid methyl ester Formula: C17H12F3NO2S2 MolecularWeight: 383.40789

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)SCC3=CC=CC=C3

InChI

InChI=1S/C17H12F3NO2S2/c1-23-16(22)15-14-11(9-25-15)12(7-13(21-14)17(18,19)20)24-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3