[(1S)-2-oxidanylidenecyclohexyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C16H16O3S/c1-10-11-6-2-5-9-14(11)20-15(10)16(18)19-13-8-4-3-7-12(13)17/h2,5-6,9,13H,3-4,7-8H2,1H3/t13-/m0/s1