methyl 2-[2-acetyloxy-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate

Systemtic Name: methyl 2-[2-acetyloxy-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate Openeye Name: methyl 2-[2-acetoxy-4-[(3-oxo-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-chlorosulfanyl-3-methyl-butanoate CAS Name: 2-[2-acetyloxy-4-[(1,3-dioxo-3-phenylpropyl)amino]-1-azetidinyl]-3-(chlorothio)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2-acetyloxy-4-[(3-oxo-3-phenylpropanoyl)amino]azetidin-1-yl]-3-chlorosulfanyl-3-methylbutanoate Traditional Name: 2-[2-acetoxy-4-[(3-keto-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-(chlorothio)-3-methyl-butyric acid methyl ester Formula: C20H25ClN2O6S MolecularWeight: 456.9403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(N1C(C(=O)OC)C(C)(C)SCl)NC(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1CC(N1C(C(=O)OC)C(C)(C)SCl)NC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25ClN2O6S/c1-12(24)29-17-11-15(23(17)18(19(27)28-4)20(2,3)30-21)22-16(26)10-14(25)13-8-6-5-7-9-13/h5-9,15,17-18H,10-11H2,1-4H3,(H,22,26)