ethyl (E)-2-bromanyl-4-sulfanyl-but-2-enoate

Systemtic Name: ethyl (E)-2-bromanyl-4-sulfanyl-but-2-enoate Openeye Name: ethyl (E)-2-bromo-4-sulfanyl-but-2-enoate CAS Name: (E)-2-bromo-4-mercapto-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-bromo-4-sulfanylbut-2-enoate Traditional Name: (E)-2-bromo-4-mercapto-but-2-enoic acid ethyl ester Formula: C6H9BrO2S MolecularWeight: 225.10346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCS)Br

Isomeric SMILES

CCOC(=O)/C(=C\CS)/Br

InChI

InChI=1S/C6H9BrO2S/c1-2-9-6(8)5(7)3-4-10/h3,10H,2,4H2,1H3/b5-3+