S-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl] ethanethioate

Systemtic Name: S-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl] ethanethioate Openeye Name: S-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ester IUPAC Name: S-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ester Formula: C10H9BrO3S MolecularWeight: 289.14566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CC(=O)SCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C10H9BrO3S/c1-6(12)15-4-7-2-9-10(3-8(7)11)14-5-13-9/h2-3H,4-5H2,1H3