(2S,3R)-2-[bis(phenylsulfanyl)methyl]-1-(4-methoxyphenyl)-3-phenoxy-azetidine

Systemtic Name: (2S,3R)-2-[bis(phenylsulfanyl)methyl]-1-(4-methoxyphenyl)-3-phenoxy-azetidine Openeye Name: (2S,3R)-2-[bis(phenylsulfanyl)methyl]-1-(4-methoxyphenyl)-3-phenoxy-azetidine CAS Name: (2S,3R)-2-[bis(phenylthio)methyl]-1-(4-methoxyphenyl)-3-phenoxyazetidine IUPAC Name: (2S,3R)-2-[bis(phenylsulfanyl)methyl]-1-(4-methoxyphenyl)-3-phenoxyazetidine Traditional Name: (2S,3R)-2-[bis(phenylthio)methyl]-1-(4-methoxyphenyl)-3-phenoxy-azetidine Formula: C29H27NO2S2 MolecularWeight: 485.66018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(C2C(SC3=CC=CC=C3)SC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C[C@H]([C@H]2C(SC3=CC=CC=C3)SC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H27NO2S2/c1-31-23-19-17-22(18-20-23)30-21-27(32-24-11-5-2-6-12-24)28(30)29(33-25-13-7-3-8-14-25)34-26-15-9-4-10-16-26/h2-20,27-29H,21H2,1H3/t27-,28+/m1/s1