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

Systemtic Name: tert-butyl 3-chloranylsulfanyl-3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-propanoyloxy-azetidin-1-yl]butanoate Openeye Name: tert-butyl 3-chlorosulfanyl-3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-propanoyloxy-azetidin-1-yl]butanoate CAS Name: 3-(chlorothio)-3-methyl-2-[2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(1-oxopropoxy)-1-azetidinyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-chlorosulfanyl-3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-propanoyloxyazetidin-1-yl]butanoate Traditional Name: 3-(chlorothio)-2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-propionyloxy-azetidin-1-yl]-3-methyl-butyric acid tert-butyl ester Formula: C23H31ClN2O7S MolecularWeight: 515.01944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(C(=O)N1C(C(=O)OC(C)(C)C)C(C)(C)SCl)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1C(C(=O)N1C(C(=O)OC(C)(C)C)C(C)(C)SCl)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H31ClN2O7S/c1-7-16(28)32-20-17(25-15(27)13-31-14-11-9-8-10-12-14)19(29)26(20)18(23(5,6)34-24)21(30)33-22(2,3)4/h8-12,17-18,20H,7,13H2,1-6H3,(H,25,27)