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

Systemtic Name: (phenylmethyl) 2-[2-acetamido-2-(iodanylmethyl)-4-oxidanylidene-azetidin-1-yl]-2-(triphenylmethyl)sulfanyl-ethanoate Openeye Name: benzyl 2-[2-acetamido-2-(iodomethyl)-4-oxo-azetidin-1-yl]-2-tritylsulfanyl-acetate CAS Name: 2-[2-acetamido-2-(iodomethyl)-4-oxo-1-azetidinyl]-2-[(triphenylmethyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-acetamido-2-(iodomethyl)-4-oxoazetidin-1-yl]-2-tritylsulfanylacetate Traditional Name: 2-[2-acetamido-2-(iodomethyl)-4-keto-azetidin-1-yl]-2-(tritylthio)acetic acid benzyl ester Formula: C34H31IN2O4S MolecularWeight: 690.59041

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC(=O)N1C(C(=O)OCC2=CC=CC=C2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CI

Isomeric SMILES

CC(=O)NC1(CC(=O)N1C(C(=O)OCC2=CC=CC=C2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CI

InChI

InChI=1S/C34H31IN2O4S/c1-25(38)36-33(24-35)22-30(39)37(33)31(32(40)41-23-26-14-6-2-7-15-26)42-34(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,31H,22-24H2,1H3,(H,36,38)