ethyl 2-[4-(sulfanylmethyl)phenyl]sulfanylpropanoate

Systemtic Name: ethyl 2-[4-(sulfanylmethyl)phenyl]sulfanylpropanoate Openeye Name: ethyl 2-[4-(sulfanylmethyl)phenyl]sulfanylpropanoate CAS Name: 2-[[4-(mercaptomethyl)phenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(sulfanylmethyl)phenyl]sulfanylpropanoate Traditional Name: 2-[[4-(mercaptomethyl)phenyl]thio]propionic acid ethyl ester Formula: C12H16O2S2 MolecularWeight: 256.38424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=CC=C(C=C1)CS

Isomeric SMILES

CCOC(=O)C(C)SC1=CC=C(C=C1)CS

InChI

InChI=1S/C12H16O2S2/c1-3-14-12(13)9(2)16-11-6-4-10(8-15)5-7-11/h4-7,9,15H,3,8H2,1-2H3