phenacyl 2-(3-acetamido-2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-chloranylsulfanyl-3-methyl-butanoate

Systemtic Name: phenacyl 2-(3-acetamido-2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-chloranylsulfanyl-3-methyl-butanoate Openeye Name: phenacyl 2-(3-acetamido-2-chloro-4-oxo-azetidin-1-yl)-3-chlorosulfanyl-3-methyl-butanoate CAS Name: 2-(3-acetamido-2-chloro-4-oxo-1-azetidinyl)-3-(chlorothio)-3-methylbutanoic acid phenacyl ester IUPAC Name: phenacyl 2-(3-acetamido-2-chloro-4-oxoazetidin-1-yl)-3-chlorosulfanyl-3-methylbutanoate Traditional Name: 2-(3-acetamido-2-chloro-4-keto-azetidin-1-yl)-3-(chlorothio)-3-methyl-butyric acid phenacyl ester Formula: C18H20Cl2N2O5S MolecularWeight: 447.3328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(C(=O)OCC(=O)C2=CC=CC=C2)C(C)(C)SCl)Cl

Isomeric SMILES

CC(=O)NC1C(N(C1=O)C(C(=O)OCC(=O)C2=CC=CC=C2)C(C)(C)SCl)Cl

InChI

InChI=1S/C18H20Cl2N2O5S/c1-10(23)21-13-15(19)22(16(13)25)14(18(2,3)28-20)17(26)27-9-12(24)11-7-5-4-6-8-11/h4-8,13-15H,9H2,1-3H3,(H,21,23)