methyl 2-[2-chloranyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate

Systemtic Name: methyl 2-[2-chloranyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate Openeye Name: methyl 2-[2-chloro-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-chlorosulfanyl-3-methyl-butanoate CAS Name: 2-[2-chloro-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-(chlorothio)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2-chloro-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-chlorosulfanyl-3-methylbutanoate Traditional Name: 2-[2-chloro-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-(chlorothio)-3-methyl-butyric acid methyl ester Formula: C17H20Cl2N2O5S MolecularWeight: 435.3221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)Cl)SCl

Isomeric SMILES

CC(C)(C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)Cl)SCl

InChI

InChI=1S/C17H20Cl2N2O5S/c1-17(2,27-19)13(16(24)25-3)21-14(18)12(15(21)23)20-11(22)9-26-10-7-5-4-6-8-10/h4-8,12-14H,9H2,1-3H3,(H,20,22)