S-phenyl (E)-7-oxidanylidene-6-(phenylcarbonyl)oct-3-enethioate

Systemtic Name: S-phenyl (E)-7-oxidanylidene-6-(phenylcarbonyl)oct-3-enethioate Openeye Name: S-phenyl (E)-6-benzoyl-7-oxo-oct-3-enethioate CAS Name: (E)-6-benzoyl-7-oxo-3-octenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-6-benzoyl-7-oxooct-3-enethioate Traditional Name: (E)-6-benzoyl-7-keto-oct-3-enethioic acid S-phenyl ester Formula: C21H20O3S MolecularWeight: 352.4467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC=CCC(=O)SC1=CC=CC=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(C/C=C/CC(=O)SC1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H20O3S/c1-16(22)19(21(24)17-10-4-2-5-11-17)14-8-9-15-20(23)25-18-12-6-3-7-13-18/h2-13,19H,14-15H2,1H3/b9-8+