2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[4-(2-ketopyrrolidino)benzyl]acetamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O4S/c24-20(14-28-17-7-8-18-19(12-17)27-11-10-26-18)22-13-15-3-5-16(6-4-15)23-9-1-2-21(23)25/h3-8,12H,1-2,9-11,13-14H2,(H,22,24)