1-(2-oxidanylidene-9-phenyl-nonyl)-4-(phenylmethylsulfanyl)azetidin-2-one

Systemtic Name: 1-(2-oxidanylidene-9-phenyl-nonyl)-4-(phenylmethylsulfanyl)azetidin-2-one Openeye Name: 4-benzylsulfanyl-1-(2-oxo-9-phenyl-nonyl)azetidin-2-one CAS Name: 1-(2-oxo-9-phenylnonyl)-4-(phenylmethylthio)-2-azetidinone IUPAC Name: 4-benzylsulfanyl-1-(2-oxo-9-phenylnonyl)azetidin-2-one Traditional Name: 4-(benzylthio)-1-(2-keto-9-phenyl-nonyl)azetidin-2-one Formula: C25H31NO2S MolecularWeight: 409.58414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)CC(=O)CCCCCCCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1C(N(C1=O)CC(=O)CCCCCCCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO2S/c27-23(17-11-3-1-2-6-12-21-13-7-4-8-14-21)19-26-24(28)18-25(26)29-20-22-15-9-5-10-16-22/h4-5,7-10,13-16,25H,1-3,6,11-12,17-20H2