methyl 6,6-dimethyl-4-oxidanylidene-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: methyl 6,6-dimethyl-4-oxidanylidene-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl 6,6-dimethyl-4-oxo-3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-4-oxo-3-[[5-(trifluoromethyl)-2-pyridinyl]thio]-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl 6,6-dimethyl-4-oxo-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-6,6-dimethyl-3-[[5-(trifluoromethyl)-2-pyridyl]thio]-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C18H16F3NO3S2 MolecularWeight: 415.44975

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC=C(C=C3)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC=C(C=C3)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C18H16F3NO3S2/c1-17(2)6-10-13(11(23)7-17)16(27-14(10)15(24)25-3)26-12-5-4-9(8-22-12)18(19,20)21/h4-5,8H,6-7H2,1-3H3