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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c1-8(17)7-22-11-6-4-3-5-10(11)13(19)21-9(2)12(18)16-14(15)20/h3-6,9H,7H2,1-2H3,(H3,15,16,18,20)/t9-/m1/s1