[(1S)-2-oxidanylidenecyclohexyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H17FO4S MolecularWeight: 336.377883

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OC3CCCCC3=O

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C17H17FO4S/c1-21-9-10-15-11(18)5-4-8-14(15)23-16(10)17(20)22-13-7-3-2-6-12(13)19/h4-5,8,13H,2-3,6-7,9H2,1H3/t13-/m0/s1