[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1SCC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1SCC(=O)C

InChI

InChI=1S/C17H23NO4S/c1-11(19)10-23-14-9-7-6-8-13(14)16(21)22-12(2)15(20)18-17(3,4)5/h6-9,12H,10H2,1-5H3,(H,18,20)/t12-/m1/s1