4-[[(2S)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]carbamoylamino]benzoate

Systemtic Name: 4-[[(2S)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]carbamoylamino]benzoate Openeye Name: 4-[[(1S)-1-carboxylato-3-methylsulfanyl-propyl]carbamoylamino]benzoate CAS Name: 4-[[[[(2S)-4-(methylthio)-1-oxido-1-oxobutan-2-yl]amino]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(2S)-4-methylsulfanyl-1-oxido-1-oxobutan-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[(1S)-1-carboxylato-3-(methylthio)propyl]carbamoylamino]benzoate Formula: C13H14N2O5S-2 MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-21-7-6-10(12(18)19)15-13(20)14-9-4-2-8(3-5-9)11(16)17/h2-5,10H,6-7H2,1H3,(H,16,17)(H,18,19)(H2,14,15,20)/p-2/t10-/m0/s1