S-ethyl 4-oxidanylidene-4-phenyl-butanethioate

Systemtic Name: S-ethyl 4-oxidanylidene-4-phenyl-butanethioate Openeye Name: S-ethyl 4-oxo-4-phenyl-butanethioate CAS Name: 4-oxo-4-phenylbutanethioic acid S-ethyl ester IUPAC Name: S-ethyl 4-oxo-4-phenylbutanethioate Traditional Name: 4-keto-4-phenyl-butanethioic acid S-ethyl ester Formula: C12H14O2S MolecularWeight: 222.30336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCSC(=O)CCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H14O2S/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3