S-ethyl 3-oxidanylidene-2-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]pentanethioate

Systemtic Name: S-ethyl 3-oxidanylidene-2-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]pentanethioate Openeye Name: S-ethyl 3-oxo-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]pentanethioate CAS Name: 3-oxo-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]pentanethioic acid S-ethyl ester IUPAC Name: S-ethyl 3-oxo-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]pentanethioate Traditional Name: 3-keto-2-[2-keto-2-(4-phenoxyphenyl)ethyl]pentanethioic acid S-ethyl ester Formula: C21H22O4S MolecularWeight: 370.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)SCC

Isomeric SMILES

CCC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)SCC

InChI

InChI=1S/C21H22O4S/c1-3-19(22)18(21(24)26-4-2)14-20(23)15-10-12-17(13-11-15)25-16-8-6-5-7-9-16/h5-13,18H,3-4,14H2,1-2H3