methyl 2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-cyanophenyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-cyanophenyl)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-cyanophenyl)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3S/c1-16-12(15)8-17-7-11(14)10-4-2-9(6-13)3-5-10/h2-5H,7-8H2,1H3