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

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

CC(C(=O)O)SCC(=O)NC1=CC(=C(C=C1)C#N)Cl

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=CC(=C(C=C1)C#N)Cl

InChI

InChI=1S/C12H11ClN2O3S/c1-7(12(17)18)19-6-11(16)15-9-3-2-8(5-14)10(13)4-9/h2-4,7H,6H2,1H3,(H,15,16)(H,17,18)