N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methylpropyl)-5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methylpropyl)-5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-hydroxy-2-isobutyl-3-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-hydroxy-2-(2-methylpropyl)-3-oxo-1,2-dihydropyrrol-4-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-hydroxy-2-(2-methylpropyl)-3-oxo-1,2-dihydropyrrol-4-yl]sulfanyl]acetamide Traditional Name: 2-[(2-hydroxy-5-isobutyl-4-keto-2-pyrrolin-3-yl)thio]-N-piperonyl-acetamide Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)C(=C(N1)O)SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC1C(=O)C(=C(N1)O)SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N2O5S/c1-10(2)5-12-16(22)17(18(23)20-12)26-8-15(21)19-7-11-3-4-13-14(6-11)25-9-24-13/h3-4,6,10,12,20,23H,5,7-9H2,1-2H3,(H,19,21)