[(1S)-2-oxidanylidenecyclohexyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C20H17NO3S/c21-13-14-7-1-5-11-18(14)25-19-12-6-2-8-15(19)20(23)24-17-10-4-3-9-16(17)22/h1-2,5-8,11-12,17H,3-4,9-10H2/t17-/m0/s1