methyl 4-oxidanylidene-3-phenacyl-thiolane-3-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-phenacyl-thiolane-3-carboxylate Openeye Name: methyl 4-oxo-3-phenacyl-tetrahydrothiophene-3-carboxylate CAS Name: 4-oxo-3-phenacyl-3-thiolanecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-phenacylthiolane-3-carboxylate Traditional Name: 4-keto-3-phenacyl-tetrahydrothiophene-3-carboxylic acid methyl ester Formula: C14H14O4S MolecularWeight: 278.32356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CSCC1=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CSCC1=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14O4S/c1-18-13(17)14(9-19-8-12(14)16)7-11(15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3