methyl 2-[2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-2-(4-phenylmethoxyphenyl)ethanoate

Systemtic Name: methyl 2-[2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-2-(4-phenylmethoxyphenyl)ethanoate Openeye Name: methyl 2-(4-benzyloxyphenyl)-2-[2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate CAS Name: 2-[2-(methylthio)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-2-(4-phenylmethoxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-[2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-(4-phenylmethoxyphenyl)acetate Traditional Name: 2-(4-benzoxyphenyl)-2-[2-keto-4-(methylthio)-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid methyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)OCC2=CC=CC=C2)N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)OCC2=CC=CC=C2)N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC

InChI

InChI=1S/C28H28N2O5S/c1-34-28(33)25(21-13-15-22(16-14-21)35-18-20-11-7-4-8-12-20)30-26(32)24(27(30)36-2)29-23(31)17-19-9-5-3-6-10-19/h3-16,24-25,27H,17-18H2,1-2H3,(H,29,31)