methyl 2-[4-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-cyano-3-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]sulfanylacetate CAS Name: 2-[[4-cyano-3-[(2-methoxy-2-oxoethyl)thio]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-cyano-3-(2-methoxy-2-oxoethyl)sulfanylphenyl]sulfanylacetate Traditional Name: 2-[[4-cyano-3-[(2-keto-2-methoxy-ethyl)thio]phenyl]thio]acetic acid methyl ester Formula: C13H13NO4S2 MolecularWeight: 311.37662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=C(C=C1)C#N)SCC(=O)OC

Isomeric SMILES

COC(=O)CSC1=CC(=C(C=C1)C#N)SCC(=O)OC

InChI

InChI=1S/C13H13NO4S2/c1-17-12(15)7-19-10-4-3-9(6-14)11(5-10)20-8-13(16)18-2/h3-5H,7-8H2,1-2H3