methyl 2-(3-azido-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-phenylmethoxyphenyl)ethanoate

Systemtic Name: methyl 2-(3-azido-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-phenylmethoxyphenyl)ethanoate Openeye Name: methyl 2-(3-azido-2-methylsulfanyl-4-oxo-azetidin-1-yl)-2-(4-benzyloxyphenyl)acetate CAS Name: 2-[3-azido-2-(methylthio)-4-oxo-1-azetidinyl]-2-(4-phenylmethoxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-azido-2-methylsulfanyl-4-oxoazetidin-1-yl)-2-(4-phenylmethoxyphenyl)acetate Traditional Name: 2-[3-azido-2-keto-4-(methylthio)azetidin-1-yl]-2-(4-benzoxyphenyl)acetic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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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)N=[N+]=[N-])SC

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)OCC2=CC=CC=C2)N3C(C(C3=O)N=[N+]=[N-])SC

InChI

InChI=1S/C20H20N4O4S/c1-27-20(26)17(24-18(25)16(22-23-21)19(24)29-2)14-8-10-15(11-9-14)28-12-13-6-4-3-5-7-13/h3-11,16-17,19H,12H2,1-2H3