4-ethanoyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1,2-dihydropyrrol-3-one

Systemtic Name: 4-ethanoyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1,2-dihydropyrrol-3-one Openeye Name: 4-acetyl-2-(benzylsulfanylmethyl)-5-hydroxy-1,2-dihydropyrrol-3-one CAS Name: 4-acetyl-5-hydroxy-2-[(phenylmethylthio)methyl]-1,2-dihydropyrrol-3-one IUPAC Name: 4-acetyl-2-(benzylsulfanylmethyl)-5-hydroxy-1,2-dihydropyrrol-3-one Traditional Name: 4-acetyl-2-[(benzylthio)methyl]-5-hydroxy-2-pyrrolin-3-one Formula: C14H15NO3S MolecularWeight: 277.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(C1=O)CSCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)C1=C(NC(C1=O)CSCC2=CC=CC=C2)O

InChI

InChI=1S/C14H15NO3S/c1-9(16)12-13(17)11(15-14(12)18)8-19-7-10-5-3-2-4-6-10/h2-6,11,15,18H,7-8H2,1H3