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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)C(=C(N1)O)SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)C1C(=O)C(=C(N1)O)SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N2O5S/c1-3-10(2)15-16(22)17(18(23)20-15)26-8-14(21)19-7-11-4-5-12-13(6-11)25-9-24-12/h4-6,10,15,20,23H,3,7-9H2,1-2H3,(H,19,21)