3-[(E)-C-ethanoyl-N-[(4-methylphenyl)amino]carbonimidoyl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-C-ethanoyl-N-[(4-methylphenyl)amino]carbonimidoyl]sulfanylpropanoic acid Openeye Name: 3-[(E)-C-acetyl-N-(4-methylanilino)carbonimidoyl]sulfanylpropanoic acid CAS Name: 3-[[(1E)-1-[(4-methylphenyl)hydrazinylidene]-2-oxopropyl]thio]propanoic acid IUPAC Name: 3-[(E)-C-acetyl-N-(4-methylanilino)carbonimidoyl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-C-acetyl-N-(p-toluidino)carbonimidoyl]thio]propionic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NN=C(C(=O)C)SCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N/N=C(\C(=O)C)/SCCC(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-9-3-5-11(6-4-9)14-15-13(10(2)16)19-8-7-12(17)18/h3-6,14H,7-8H2,1-2H3,(H,17,18)/b15-13+