[(1S)-2-oxidanylidenecyclohexyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C18H18O3S/c1-12-6-8-13(9-7-12)14-10-11-22-17(14)18(20)21-16-5-3-2-4-15(16)19/h6-11,16H,2-5H2,1H3/t16-/m0/s1