[(1S)-2-oxidanylidenecyclohexyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OC2CCCCC2=O

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)O[C@H]2CCCCC2=O

InChI

InChI=1S/C18H23NO4S/c1-12(2)19-17(21)11-24-16-10-6-3-7-13(16)18(22)23-15-9-5-4-8-14(15)20/h3,6-7,10,12,15H,4-5,8-9,11H2,1-2H3,(H,19,21)/t15-/m0/s1