3-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]thio]propionic acid Formula: C12H11ClN2O3S MolecularWeight: 298.74534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSCCC(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSCCC(=O)O)Cl)C#N

InChI

InChI=1S/C12H11ClN2O3S/c13-10-5-9(2-1-8(10)6-14)15-11(16)7-19-4-3-12(17)18/h1-2,5H,3-4,7H2,(H,15,16)(H,17,18)