ethyl 2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)Cl)C#N

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)Cl)C#N

InChI

InChI=1S/C13H13ClN2O3S/c1-2-19-13(18)8-20-7-12(17)16-11-5-10(14)4-3-9(11)6-15/h3-5H,2,7-8H2,1H3,(H,16,17)