S-[2-(aminocarbonylamino)-1-[(Z)-4-bromanyl-1-(2-methylbutan-2-yloxy)-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-3-phenylmethoxy-azetidin-2-yl] methanethioate

Systemtic Name: S-[2-(aminocarbonylamino)-1-[(Z)-4-bromanyl-1-(2-methylbutan-2-yloxy)-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-3-phenylmethoxy-azetidin-2-yl] methanethioate Openeye Name: S-[3-benzyloxy-1-[(1Z)-3-bromo-1-[1,1-dimethylpropoxy(hydroxy)methylene]-2-oxo-propyl]-4-oxo-2-ureido-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[1-[(Z)-4-bromo-1-hydroxy-1-(2-methylbutan-2-yloxy)-3-oxobut-1-en-2-yl]-2-(carbamoylamino)-4-oxo-3-phenylmethoxy-2-azetidinyl] ester IUPAC Name: S-[1-[(Z)-4-bromo-1-hydroxy-1-(2-methylbutan-2-yloxy)-3-oxobut-1-en-2-yl]-2-(carbamoylamino)-4-oxo-3-phenylmethoxyazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[1-[(Z)-2-tert-amyloxy-1-(2-bromoacetyl)-2-hydroxy-vinyl]-3-benzoxy-4-keto-2-ureido-azetidin-2-yl] ester Formula: C21H26BrN3O7S MolecularWeight: 544.41604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=C(C(=O)CBr)N1C(=O)C(C1(NC(=O)N)SC=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCC(C)(C)O/C(=C(/C(=O)CBr)\N1C(=O)C(C1(NC(=O)N)SC=O)OCC2=CC=CC=C2)/O

InChI

InChI=1S/C21H26BrN3O7S/c1-4-20(2,3)32-18(29)15(14(27)10-22)25-17(28)16(21(25,33-12-26)24-19(23)30)31-11-13-8-6-5-7-9-13/h5-9,12,16,29H,4,10-11H2,1-3H3,(H3,23,24,30)/b18-15-