[(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C22H21FO5S MolecularWeight: 416.462543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C22H21FO5S/c1-4-27-15-10-8-14(9-11-15)20(24)13(2)28-22(25)21-16(12-26-3)19-17(23)6-5-7-18(19)29-21/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1