tert-butyl 2-[2-chloranylsulfinyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: tert-butyl 2-[2-chloranylsulfinyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: tert-butyl 2-[2-chlorosulfinyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-chlorosulfinyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-chlorosulfinyl-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid tert-butyl ester Formula: C20H25ClN2O6S MolecularWeight: 456.9403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O6S/c1-12(2)16(19(26)29-20(3,4)5)23-17(25)15(18(23)30(21)27)22-14(24)11-28-13-9-7-6-8-10-13/h6-10,15-16,18H,1,11H2,2-5H3,(H,22,24)