ethyl 2-[(5-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]propanoate

Systemtic Name: ethyl 2-[(5-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(5-bromo-1,3-benzothiazol-2-yl)sulfanyl]propanoate CAS Name: 2-[(5-bromo-1,3-benzothiazol-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-1,3-benzothiazol-2-yl)sulfanyl]propanoate Traditional Name: 2-[(5-bromo-1,3-benzothiazol-2-yl)thio]propionic acid ethyl ester Formula: C12H12BrNO2S2 MolecularWeight: 346.26318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(S1)C=CC(=C2)Br

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(S1)C=CC(=C2)Br

InChI

InChI=1S/C12H12BrNO2S2/c1-3-16-11(15)7(2)17-12-14-9-6-8(13)4-5-10(9)18-12/h4-7H,3H2,1-2H3