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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c1-8(15)7-19-11-6-4-3-5-10(11)13(17)18-9(2)12(14)16/h3-6,9H,7H2,1-2H3,(H2,14,16)/t9-/m1/s1