(2E)-2-cyano-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanylimino-ethanoic acid

Systemtic Name: (2E)-2-cyano-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanylimino-ethanoic acid Openeye Name: (2E)-2-(2-tert-butoxy-2-oxo-ethyl)sulfanylimino-2-cyano-acetic acid CAS Name: (2E)-2-cyano-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]iminoacetic acid IUPAC Name: (2E)-2-cyano-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyliminoacetic acid Traditional Name: (2E)-2-[(2-tert-butoxy-2-keto-ethyl)thio]imino-2-cyano-acetic acid Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSN=C(C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CS/N=C(\C#N)/C(=O)O

InChI

InChI=1S/C9H12N2O4S/c1-9(2,3)15-7(12)5-16-11-6(4-10)8(13)14/h5H2,1-3H3,(H,13,14)/b11-6+