methyl 2-[1-acetyloxy-2-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-ium-1-yl]sulfanyl-3-cyclopropyl-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-[1-acetyloxy-2-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-ium-1-yl]sulfanyl-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: methyl 2-[1-acetoxy-2-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-ium-1-yl]sulfanyl-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[[1-acetyloxy-2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidin-1-iumyl]thio]-3-cyclopropyl-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-[1-acetyloxy-2-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-ium-1-yl]sulfanyl-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-[[1-acetoxy-2-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-ium-1-yl]thio]-3-cyclopropyl-3-keto-propionic acid methyl ester Formula: C20H23N2O8S+ MolecularWeight: 451.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O[N+]1(CC(C1=O)NC(=O)COC2=CC=CC=C2)SC(C(=O)C3CC3)C(=O)OC

Isomeric SMILES

CC(=O)O[N+]1(CC(C1=O)NC(=O)COC2=CC=CC=C2)SC(C(=O)C3CC3)C(=O)OC

InChI

InChI=1S/C20H22N2O8S/c1-12(23)30-22(31-18(20(27)28-2)17(25)13-8-9-13)10-15(19(22)26)21-16(24)11-29-14-6-4-3-5-7-14/h3-7,13,15,18H,8-11H2,1-2H3/p+1