2-methylbutan-2-yl 2-[2-(aminocarbonylamino)-2-chloranylsulfinyl-4-oxidanylidene-3-phenylmethoxy-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: 2-methylbutan-2-yl 2-[2-(aminocarbonylamino)-2-chloranylsulfinyl-4-oxidanylidene-3-phenylmethoxy-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: 1,1-dimethylpropyl 2-(3-benzyloxy-2-chlorosulfinyl-4-oxo-2-ureido-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-[2-(carbamoylamino)-2-chlorosulfinyl-4-oxo-3-phenylmethoxy-1-azetidinyl]-3-methyl-3-butenoic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 2-[2-(carbamoylamino)-2-chlorosulfinyl-4-oxo-3-phenylmethoxyazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-(3-benzoxy-2-chlorosulfinyl-4-keto-2-ureido-azetidin-1-yl)-3-methyl-but-3-enoic acid tert-amyl ester Formula: C21H28ClN3O6S MolecularWeight: 485.98152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C(C(=C)C)N1C(=O)C(C1(NC(=O)N)S(=O)Cl)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)OC(=O)C(C(=C)C)N1C(=O)C(C1(NC(=O)N)S(=O)Cl)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28ClN3O6S/c1-6-20(4,5)31-18(27)15(13(2)3)25-17(26)16(21(25,32(22)29)24-19(23)28)30-12-14-10-8-7-9-11-14/h7-11,15-16H,2,6,12H2,1,3-5H3,(H3,23,24,28)