2-[(2-butan-2-yl-5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(2-butan-2-yl-5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(5-hydroxy-3-oxo-2-sec-butyl-1,2-dihydropyrrol-4-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(2-butan-2-yl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(2-butan-2-yl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(2-hydroxy-4-keto-5-sec-butyl-2-pyrrolin-3-yl)thio]-N-phenethyl-acetamide Formula: C18H24N2O3S MolecularWeight: 348.45976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)C(=C(N1)O)SCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1C(=O)C(=C(N1)O)SCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O3S/c1-3-12(2)15-16(22)17(18(23)20-15)24-11-14(21)19-10-9-13-7-5-4-6-8-13/h4-8,12,15,20,23H,3,9-11H2,1-2H3,(H,19,21)