2-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]thio]benzoate Formula: C12H13N2O4S- MolecularWeight: 281.30762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)SC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C12H14N2O4S/c1-7(10(15)14-12(18)13-2)19-9-6-4-3-5-8(9)11(16)17/h3-7H,1-2H3,(H,16,17)(H2,13,14,15,18)/p-1/t7-/m0/s1