methyl 3-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)Cl)C#N

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)Cl)C#N

InChI

InChI=1S/C13H13ClN2O3S/c1-19-13(18)4-5-20-8-12(17)16-11-6-10(14)3-2-9(11)7-15/h2-3,6H,4-5,8H2,1H3,(H,16,17)