2-[(Z)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanylethanoate

Systemtic Name: 2-[(Z)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanylethanoate Openeye Name: 2-[(Z)-4-amino-3-cyano-2-oxo-pent-3-enyl]sulfanylacetate CAS Name: 2-[[(Z)-4-amino-3-cyano-2-oxopent-3-enyl]thio]acetate IUPAC Name: 2-[(Z)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanylacetate Traditional Name: 2-[[(Z)-4-amino-3-cyano-2-keto-pent-3-enyl]thio]acetate Formula: C8H9N2O3S- MolecularWeight: 213.23366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSCC(=O)[O-])N

Isomeric SMILES

C/C(=C(\C#N)/C(=O)CSCC(=O)[O-])/N

InChI

InChI=1S/C8H10N2O3S/c1-5(10)6(2-9)7(11)3-14-4-8(12)13/h3-4,10H2,1H3,(H,12,13)/p-1/b6-5-