4-ethanoyl-1-methyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-2H-pyrrol-3-one

Systemtic Name: 4-ethanoyl-1-methyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-2H-pyrrol-3-one Openeye Name: 4-acetyl-2-(benzylsulfanylmethyl)-5-hydroxy-1-methyl-2H-pyrrol-3-one CAS Name: 4-acetyl-5-hydroxy-1-methyl-2-[(phenylmethylthio)methyl]-2H-pyrrol-3-one IUPAC Name: 4-acetyl-2-(benzylsulfanylmethyl)-5-hydroxy-1-methyl-2H-pyrrol-3-one Traditional Name: 4-acetyl-2-[(benzylthio)methyl]-5-hydroxy-1-methyl-2-pyrrolin-3-one Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3S/c1-10(17)13-14(18)12(16(2)15(13)19)9-20-8-11-6-4-3-5-7-11/h3-7,12,19H,8-9H2,1-2H3