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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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