[(1S)-2-oxidanylidenecyclohexyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H19ClO3S MolecularWeight: 374.88106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClO3S/c21-16-9-11-17(12-10-16)25-13-14-5-7-15(8-6-14)20(23)24-19-4-2-1-3-18(19)22/h5-12,19H,1-4,13H2/t19-/m0/s1