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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-1,2-dihydropyrrol-4-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-benzyl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-hydroxy-3-oxo-2-(phenylmethyl)-1,2-dihydropyrrol-4-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-benzyl-5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]acetamide Traditional Name: 2-[(5-benzyl-2-hydroxy-4-keto-2-pyrrolin-3-yl)thio]-N-piperonyl-acetamide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(NC(C3=O)CC4=CC=CC=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(NC(C3=O)CC4=CC=CC=C4)O

InChI

InChI=1S/C21H20N2O5S/c24-18(22-10-14-6-7-16-17(9-14)28-12-27-16)11-29-20-19(25)15(23-21(20)26)8-13-4-2-1-3-5-13/h1-7,9,15,23,26H,8,10-12H2,(H,22,24)