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

Systemtic Name: ethyl 6,6-dimethyl-4-oxidanylidene-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H18F3NO3S2 MolecularWeight: 429.47633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC3=NC=C(C=C3)C(F)(F)F)(C)C

Isomeric SMILES

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC3=NC=C(C=C3)C(F)(F)F)(C)C

InChI

InChI=1S/C19H18F3NO3S2/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/h5-6,9H,4,7-8H2,1-3H3