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

Systemtic Name: 3-[(E)-N-[(4-chlorophenyl)amino]-C-ethanoyl-carbonimidoyl]sulfanylpropanoic acid Openeye Name: 3-[(E)-C-acetyl-N-(4-chloroanilino)carbonimidoyl]sulfanylpropanoic acid CAS Name: 3-[[(1E)-1-[(4-chlorophenyl)hydrazinylidene]-2-oxopropyl]thio]propanoic acid IUPAC Name: 3-[(E)-C-acetyl-N-(4-chloroanilino)carbonimidoyl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-C-acetyl-N-(4-chloroanilino)carbonimidoyl]thio]propionic acid Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O3S/c1-8(16)12(19-7-6-11(17)18)15-14-10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3,(H,17,18)/b15-12+