S-[3-bromanyl-1-(hydroxymethyl)-4-oxidanylidene-azetidin-2-yl] ethanethioate

Systemtic Name: S-[3-bromanyl-1-(hydroxymethyl)-4-oxidanylidene-azetidin-2-yl] ethanethioate Openeye Name: S-[3-bromo-1-(hydroxymethyl)-4-oxo-azetidin-2-yl] ethanethioate CAS Name: ethanethioic acid S-[3-bromo-1-(hydroxymethyl)-4-oxo-2-azetidinyl] ester IUPAC Name: S-[3-bromo-1-(hydroxymethyl)-4-oxoazetidin-2-yl] ethanethioate Traditional Name: ethanethioic acid S-(3-bromo-4-keto-1-methylol-azetidin-2-yl) ester Formula: C6H8BrNO3S MolecularWeight: 254.10162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C(C(=O)N1CO)Br

Isomeric SMILES

CC(=O)SC1C(C(=O)N1CO)Br

InChI

InChI=1S/C6H8BrNO3S/c1-3(10)12-6-4(7)5(11)8(6)2-9/h4,6,9H,2H2,1H3