ethyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C20H20ClFO3S2 MolecularWeight: 426.952403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCC3=C(C=CC=C3Cl)F)(C)C

Isomeric SMILES

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCC3=C(C=CC=C3Cl)F)(C)C

InChI

InChI=1S/C20H20ClFO3S2/c1-4-25-18(24)17-11-8-20(2,3)9-15(23)16(11)19(27-17)26-10-12-13(21)6-5-7-14(12)22/h5-7H,4,8-10H2,1-3H3