methyl 2-[[1-(4-methoxyphenyl)-2-oxidanylidene-4-phenyl-azetidin-3-yl]methylsulfanyl]benzoate

Systemtic Name: methyl 2-[[1-(4-methoxyphenyl)-2-oxidanylidene-4-phenyl-azetidin-3-yl]methylsulfanyl]benzoate Openeye Name: methyl 2-[[1-(4-methoxyphenyl)-2-oxo-4-phenyl-azetidin-3-yl]methylsulfanyl]benzoate CAS Name: 2-[[1-(4-methoxyphenyl)-2-oxo-4-phenyl-3-azetidinyl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methylsulfanyl]benzoate Traditional Name: 2-[[2-keto-1-(4-methoxyphenyl)-4-phenyl-azetidin-3-yl]methylthio]benzoic acid methyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C2=O)CSC3=CC=CC=C3C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(C2=O)CSC3=CC=CC=C3C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO4S/c1-29-19-14-12-18(13-15-19)26-23(17-8-4-3-5-9-17)21(24(26)27)16-31-22-11-7-6-10-20(22)25(28)30-2/h3-15,21,23H,16H2,1-2H3