S-phenyl (E)-4,4-dimethylpent-2-enethioate

Systemtic Name: S-phenyl (E)-4,4-dimethylpent-2-enethioate Openeye Name: S-phenyl (E)-4,4-dimethylpent-2-enethioate CAS Name: (E)-4,4-dimethyl-2-pentenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-4,4-dimethylpent-2-enethioate Traditional Name: (E)-4,4-dimethylpent-2-enethioic acid S-phenyl ester Formula: C13H16OS MolecularWeight: 220.33054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)/C=C/C(=O)SC1=CC=CC=C1

InChI

InChI=1S/C13H16OS/c1-13(2,3)10-9-12(14)15-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+