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

Systemtic Name: S-[1-[(Z)-4-bromanyl-1-(2-methylbutan-2-yloxy)-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl] methanethioate Openeye Name: S-[1-[(1Z)-3-bromo-1-[1,1-dimethylpropoxy(hydroxy)methylene]-2-oxo-propyl]-4-oxo-3-[(2-phenylacetyl)amino]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]-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-azetidinyl] ester IUPAC Name: S-[1-[(Z)-4-bromo-1-hydroxy-1-(2-methylbutan-2-yloxy)-3-oxobut-1-en-2-yl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[1-[(Z)-2-tert-amyloxy-1-(2-bromoacetyl)-2-hydroxy-vinyl]-4-keto-3-[(2-phenylacetyl)amino]azetidin-2-yl] ester Formula: C21H25BrN2O6S MolecularWeight: 513.402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=C(C(=O)CBr)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SC=O)O

Isomeric SMILES

CCC(C)(C)O/C(=C(/C(=O)CBr)\N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SC=O)/O

InChI

InChI=1S/C21H25BrN2O6S/c1-4-21(2,3)30-20(29)17(14(26)11-22)24-18(28)16(19(24)31-12-25)23-15(27)10-13-8-6-5-7-9-13/h5-9,12,16,19,29H,4,10-11H2,1-3H3,(H,23,27)/b20-17-