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

Systemtic Name: S-[2-acetamido-1-[4-bromanyl-1,1-bis(oxidanyl)-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[2-acetamido-1-[3-bromo-1-(dihydroxymethylene)-2-oxo-propyl]-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[2-acetamido-1-(4-bromo-1,1-dihydroxy-3-oxobut-1-en-2-yl)-4-oxo-2-azetidinyl] ester IUPAC Name: S-[2-acetamido-1-(4-bromo-1,1-dihydroxy-3-oxobut-1-en-2-yl)-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[2-acetamido-1-[1-(2-bromoacetyl)-2,2-dihydroxy-vinyl]-4-keto-azetidin-2-yl] ester Formula: C10H11BrN2O6S MolecularWeight: 367.17314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC(=O)N1C(=C(O)O)C(=O)CBr)SC=O

Isomeric SMILES

CC(=O)NC1(CC(=O)N1C(=C(O)O)C(=O)CBr)SC=O

InChI

InChI=1S/C10H11BrN2O6S/c1-5(15)12-10(20-4-14)2-7(17)13(10)8(9(18)19)6(16)3-11/h4,18-19H,2-3H2,1H3,(H,12,15)