2-(2-diethylaminoethylsulfanylmethyl)-5-oxidanyl-pyran-4-one

Systemtic Name: 2-(2-diethylaminoethylsulfanylmethyl)-5-oxidanyl-pyran-4-one Openeye Name: 2-(2-diethylaminoethylsulfanylmethyl)-5-hydroxy-pyran-4-one CAS Name: 2-[(2-diethylaminoethylthio)methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-(2-diethylaminoethylsulfanylmethyl)-5-hydroxypyran-4-one Traditional Name: 2-[(2-diethylaminoethylthio)methyl]-5-hydroxy-pyran-4-one Formula: C12H19NO3S MolecularWeight: 257.34916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSCC1=CC(=O)C(=CO1)O

Isomeric SMILES

CCN(CC)CCSCC1=CC(=O)C(=CO1)O

InChI

InChI=1S/C12H19NO3S/c1-3-13(4-2)5-6-17-9-10-7-11(14)12(15)8-16-10/h7-8,15H,3-6,9H2,1-2H3