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

Systemtic Name: ethyl 2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(3-chloro-4-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=CC(=C(C=C1)C#N)Cl

Isomeric SMILES

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

InChI

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