(phenylmethyl) 2-chloranyl-2-[2-oxidanylidene-4-(triphenylmethyl)sulfanyl-azetidin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-chloranyl-2-[2-oxidanylidene-4-(triphenylmethyl)sulfanyl-azetidin-1-yl]ethanoate Openeye Name: benzyl 2-chloro-2-(2-oxo-4-tritylsulfanyl-azetidin-1-yl)acetate CAS Name: 2-chloro-2-[2-oxo-4-[(triphenylmethyl)thio]-1-azetidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-chloro-2-(2-oxo-4-tritylsulfanylazetidin-1-yl)acetate Traditional Name: 2-chloro-2-[2-keto-4-(tritylthio)azetidin-1-yl]acetic acid benzyl ester Formula: C31H26ClNO3S MolecularWeight: 528.06104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)C(C(=O)OCC2=CC=CC=C2)Cl)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(C1=O)C(C(=O)OCC2=CC=CC=C2)Cl)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26ClNO3S/c32-29(30(35)36-22-23-13-5-1-6-14-23)33-27(34)21-28(33)37-31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,28-29H,21-22H2