1-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]phenyl]-2-pyrrolidone Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c23-18(15-4-1-5-16(12-15)22-9-2-6-21(22)24)14-27-17-7-8-19-20(13-17)26-11-3-10-25-19/h1,4-5,7-8,12-13H,2-3,6,9-11,14H2