[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H21FO4S MolecularWeight: 400.463143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC)C)C

InChI

InChI=1S/C22H21FO4S/c1-12-8-14(3)15(9-13(12)2)18(24)11-27-22(25)21-16(10-26-4)20-17(23)6-5-7-19(20)28-21/h5-9H,10-11H2,1-4H3