2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(2-ketopyrrolidino)phenyl]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)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N2O4S/c24-20(14-28-17-8-9-18-19(13-17)27-12-2-11-26-18)22-15-4-6-16(7-5-15)23-10-1-3-21(23)25/h4-9,13H,1-3,10-12,14H2,(H,22,24)