2-(2-methylpropyl)-5-oxidanyl-4-phenethylsulfanyl-1,2-dihydropyrrol-3-one

Systemtic Name: 2-(2-methylpropyl)-5-oxidanyl-4-phenethylsulfanyl-1,2-dihydropyrrol-3-one Openeye Name: 5-hydroxy-2-isobutyl-4-phenethylsulfanyl-1,2-dihydropyrrol-3-one CAS Name: 5-hydroxy-2-(2-methylpropyl)-4-(phenethylthio)-1,2-dihydropyrrol-3-one IUPAC Name: 5-hydroxy-2-(2-methylpropyl)-4-phenethylsulfanyl-1,2-dihydropyrrol-3-one Traditional Name: 5-hydroxy-2-isobutyl-4-(phenethylthio)-2-pyrrolin-3-one Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)C(=C(N1)O)SCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1C(=O)C(=C(N1)O)SCCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO2S/c1-11(2)10-13-14(18)15(16(19)17-13)20-9-8-12-6-4-3-5-7-12/h3-7,11,13,17,19H,8-10H2,1-2H3