1-(4-methoxyphenyl)-4-(2-phenylethynyl)-3-(phenylmethylsulfanyl)azetidin-2-one

Systemtic Name: 1-(4-methoxyphenyl)-4-(2-phenylethynyl)-3-(phenylmethylsulfanyl)azetidin-2-one Openeye Name: 3-benzylsulfanyl-1-(4-methoxyphenyl)-4-(2-phenylethynyl)azetidin-2-one CAS Name: 1-(4-methoxyphenyl)-4-(2-phenylethynyl)-3-(phenylmethylthio)-2-azetidinone IUPAC Name: 3-benzylsulfanyl-1-(4-methoxyphenyl)-4-(2-phenylethynyl)azetidin-2-one Traditional Name: 3-(benzylthio)-1-(4-methoxyphenyl)-4-(2-phenylethynyl)azetidin-2-one Formula: C25H21NO2S MolecularWeight: 399.50474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C2=O)SCC3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(C2=O)SCC3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H21NO2S/c1-28-22-15-13-21(14-16-22)26-23(17-12-19-8-4-2-5-9-19)24(25(26)27)29-18-20-10-6-3-7-11-20/h2-11,13-16,23-24H,18H2,1H3