(3R,4R)-3-[(4-bromophenyl)sulfanylmethyl]-1-(4-methoxyphenyl)-4-phenyl-azetidin-2-one

Systemtic Name: (3R,4R)-3-[(4-bromophenyl)sulfanylmethyl]-1-(4-methoxyphenyl)-4-phenyl-azetidin-2-one Openeye Name: (3R,4R)-3-[(4-bromophenyl)sulfanylmethyl]-1-(4-methoxyphenyl)-4-phenyl-azetidin-2-one CAS Name: (3R,4R)-3-[[(4-bromophenyl)thio]methyl]-1-(4-methoxyphenyl)-4-phenyl-2-azetidinone IUPAC Name: (3R,4R)-3-[(4-bromophenyl)sulfanylmethyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one Traditional Name: (3R,4R)-3-[[(4-bromophenyl)thio]methyl]-1-(4-methoxyphenyl)-4-phenyl-azetidin-2-one Formula: C23H20BrNO2S MolecularWeight: 454.3794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C2=O)CSC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)CSC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H20BrNO2S/c1-27-19-11-9-18(10-12-19)25-22(16-5-3-2-4-6-16)21(23(25)26)15-28-20-13-7-17(24)8-14-20/h2-14,21-22H,15H2,1H3/t21-,22+/m1/s1