[3-[6-(4-chlorophenyl)hexyl]-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidin-1-yl] ethanoate

Systemtic Name: [3-[6-(4-chlorophenyl)hexyl]-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidin-1-yl] ethanoate Openeye Name: [2-benzylsulfanyl-3-[6-(4-chlorophenyl)hexyl]-4-oxo-azetidin-1-yl] acetate CAS Name: acetic acid [3-[6-(4-chlorophenyl)hexyl]-2-oxo-4-(phenylmethylthio)-1-azetidinyl] ester IUPAC Name: [2-benzylsulfanyl-3-[6-(4-chlorophenyl)hexyl]-4-oxoazetidin-1-yl] acetate Traditional Name: acetic acid [2-(benzylthio)-3-[6-(4-chlorophenyl)hexyl]-4-keto-azetidin-1-yl] ester Formula: C24H28ClNO3S MolecularWeight: 446.00202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C(C(C1=O)CCCCCCC2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)ON1C(C(C1=O)CCCCCCC2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C24H28ClNO3S/c1-18(27)29-26-23(28)22(24(26)30-17-20-10-6-4-7-11-20)12-8-3-2-5-9-19-13-15-21(25)16-14-19/h4,6-7,10-11,13-16,22,24H,2-3,5,8-9,12,17H2,1H3