(phenylmethyl) 2-(2-acetyloxy-3-azanyl-3-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-phenylmethoxyphenyl)ethanoate

Systemtic Name: (phenylmethyl) 2-(2-acetyloxy-3-azanyl-3-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-phenylmethoxyphenyl)ethanoate Openeye Name: benzyl 2-(2-acetoxy-3-amino-3-methylsulfanyl-4-oxo-azetidin-1-yl)-2-(4-benzyloxyphenyl)acetate CAS Name: 2-[2-acetyloxy-3-amino-3-(methylthio)-4-oxo-1-azetidinyl]-2-(4-phenylmethoxyphenyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-acetyloxy-3-amino-3-methylsulfanyl-4-oxoazetidin-1-yl)-2-(4-phenylmethoxyphenyl)acetate Traditional Name: 2-[2-acetoxy-3-amino-4-keto-3-(methylthio)azetidin-1-yl]-2-(4-benzoxyphenyl)acetic acid benzyl ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=O)N1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)(N)SC

Isomeric SMILES

CC(=O)OC1C(C(=O)N1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)(N)SC

InChI

InChI=1S/C28H28N2O6S/c1-19(31)36-27-28(29,37-2)26(33)30(27)24(25(32)35-18-21-11-7-4-8-12-21)22-13-15-23(16-14-22)34-17-20-9-5-3-6-10-20/h3-16,24,27H,17-18,29H2,1-2H3