S-[3-azanyl-1-[4-bromanyl-1,1-bis(oxidanyl)-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] methanethioate

Systemtic Name: S-[3-azanyl-1-[4-bromanyl-1,1-bis(oxidanyl)-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[3-amino-1-[3-bromo-1-(dihydroxymethylene)-2-oxo-propyl]-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[3-amino-1-(4-bromo-1,1-dihydroxy-3-oxobut-1-en-2-yl)-4-oxo-2-azetidinyl] ester IUPAC Name: S-[3-amino-1-(4-bromo-1,1-dihydroxy-3-oxobut-1-en-2-yl)-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[3-amino-1-[1-(2-bromoacetyl)-2,2-dihydroxy-vinyl]-4-keto-azetidin-2-yl] ester Formula: C8H9BrN2O5S MolecularWeight: 325.13646

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)C(=C(O)O)N1C(C(C1=O)N)SC=O)Br

Isomeric SMILES

C(C(=O)C(=C(O)O)N1C(C(C1=O)N)SC=O)Br

InChI

InChI=1S/C8H9BrN2O5S/c9-1-3(13)5(8(15)16)11-6(14)4(10)7(11)17-2-12/h2,4,7,15-16H,1,10H2