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

Systemtic Name: ethyl 6,6-dimethyl-4-oxidanylidene-3-[5-(trifluoromethyl)piperidin-2-yl]sulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 6,6-dimethyl-4-oxo-3-[[5-(trifluoromethyl)-2-piperidyl]sulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-4-oxo-3-[[5-(trifluoromethyl)-2-piperidinyl]thio]-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6,6-dimethyl-4-oxo-3-[5-(trifluoromethyl)piperidin-2-yl]sulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-6,6-dimethyl-3-[[5-(trifluoromethyl)-2-piperidyl]thio]-5,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C19H24F3NO3S2 MolecularWeight: 435.52397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC3CCC(CN3)C(F)(F)F)(C)C

Isomeric SMILES

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC3CCC(CN3)C(F)(F)F)(C)C

InChI

InChI=1S/C19H24F3NO3S2/c1-4-26-16(25)15-11-7-18(2,3)8-12(24)14(11)17(28-15)27-13-6-5-10(9-23-13)19(20,21)22/h10,13,23H,4-9H2,1-3H3