[2-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)pyran-4-yl] propanoate

Systemtic Name: [2-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)pyran-4-yl] propanoate Openeye Name: (3-benzylsulfanyl-2-oxo-6-phenyl-pyran-4-yl) propanoate CAS Name: propanoic acid [2-oxo-6-phenyl-3-(phenylmethylthio)-4-pyranyl] ester IUPAC Name: (3-benzylsulfanyl-2-oxo-6-phenylpyran-4-yl) propanoate Traditional Name: propionic acid [3-(benzylthio)-2-keto-6-phenyl-pyran-4-yl] ester Formula: C21H18O4S MolecularWeight: 366.43022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=O)OC(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)OC1=C(C(=O)OC(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H18O4S/c1-2-19(22)24-18-13-17(16-11-7-4-8-12-16)25-21(23)20(18)26-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3