2,2-dimethylpropanoyloxymethyl 2-[(2R,3R)-2-(2-bromanylethanoylsulfanyl)-3-ethyl-3-methoxy-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 2-[(2R,3R)-2-(2-bromanylethanoylsulfanyl)-3-ethyl-3-methoxy-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 2-[(2R,3R)-2-(2-bromoacetyl)sulfanyl-3-ethyl-3-methoxy-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[(2R,3R)-2-[(2-bromo-1-oxoethyl)thio]-3-ethyl-3-methoxy-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 2-[(2R,3R)-2-(2-bromoacetyl)sulfanyl-3-ethyl-3-methoxy-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[(2R,3R)-2-[(2-bromoacetyl)thio]-3-ethyl-4-keto-3-methoxy-azetidin-1-yl]-3-methyl-but-2-enoic acid pivaloyloxymethyl ester Formula: C19H28BrNO7S MolecularWeight: 494.39712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=C(C)C)C(=O)OCOC(=O)C(C)(C)C)SC(=O)CBr)OC

Isomeric SMILES

CC[C@@]1([C@H](N(C1=O)C(=C(C)C)C(=O)OCOC(=O)C(C)(C)C)SC(=O)CBr)OC

InChI

InChI=1S/C19H28BrNO7S/c1-8-19(26-7)15(24)21(16(19)29-12(22)9-20)13(11(2)3)14(23)27-10-28-17(25)18(4,5)6/h16H,8-10H2,1-7H3/t16-,19-/m1/s1