(Z)-2-diazonio-1-ethoxy-3-oxidanylidene-3-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-ethoxy-3-oxidanylidene-3-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]prop-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-ethoxy-3-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-1-ethoxy-3-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-3-oxo-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-1-ethoxy-3-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-3-oxoprop-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-ethoxy-3-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-3-keto-prop-1-en-1-olate Formula: C8H11N3O5S MolecularWeight: 261.25504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)NC(CS)C(=O)O)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)N[C@@H](CS)C(=O)O)\[N+]#N)/[O-]

InChI

InChI=1S/C8H11N3O5S/c1-2-16-8(15)5(11-9)6(12)10-4(3-17)7(13)14/h4H,2-3H2,1H3,(H3-,10,12,13,14,15,17)/t4-/m0/s1