3-[(E)-C-ethanoyl-N-phenylazanyl-carbonimidoyl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-C-ethanoyl-N-phenylazanyl-carbonimidoyl]sulfanylpropanoic acid Openeye Name: 3-[(E)-C-acetyl-N-anilino-carbonimidoyl]sulfanylpropanoic acid CAS Name: 3-[[(1E)-2-oxo-1-(phenylhydrazinylidene)propyl]thio]propanoic acid IUPAC Name: 3-[(E)-C-acetyl-N-anilinocarbonimidoyl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-C-acetyl-N-anilino-carbonimidoyl]thio]propionic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SCCC(=O)O

Isomeric SMILES

CC(=O)/C(=N\NC1=CC=CC=C1)/SCCC(=O)O

InChI

InChI=1S/C12H14N2O3S/c1-9(15)12(18-8-7-11(16)17)14-13-10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,16,17)/b14-12+