(3,3-dimethyl-4-phenylsulfanyl-but-1-en-2-yl) ethanoate

Systemtic Name: (3,3-dimethyl-4-phenylsulfanyl-but-1-en-2-yl) ethanoate Openeye Name: (2,2-dimethyl-1-methylene-3-phenylsulfanyl-propyl) acetate CAS Name: acetic acid [3,3-dimethyl-4-(phenylthio)but-1-en-2-yl] ester IUPAC Name: (3,3-dimethyl-4-phenylsulfanylbut-1-en-2-yl) acetate Traditional Name: acetic acid 1-[1,1-dimethyl-2-(phenylthio)ethyl]vinyl ester Formula: C14H18O2S MolecularWeight: 250.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=C)C(C)(C)CSC1=CC=CC=C1

Isomeric SMILES

CC(=O)OC(=C)C(C)(C)CSC1=CC=CC=C1

InChI

InChI=1S/C14H18O2S/c1-11(16-12(2)15)14(3,4)10-17-13-8-6-5-7-9-13/h5-9H,1,10H2,2-4H3