methyl 6-bromanyl-2-sulfanylidene-3H-1,3-benzothiazole-4-carboxylate

Systemtic Name: methyl 6-bromanyl-2-sulfanylidene-3H-1,3-benzothiazole-4-carboxylate Openeye Name: methyl 6-bromo-2-thioxo-3H-1,3-benzothiazole-4-carboxylate CAS Name: 6-bromo-2-sulfanylidene-3H-1,3-benzothiazole-4-carboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-sulfanylidene-3H-1,3-benzothiazole-4-carboxylate Traditional Name: 6-bromo-2-thioxo-3H-1,3-benzothiazole-4-carboxylic acid methyl ester Formula: C9H6BrNO2S2 MolecularWeight: 304.18344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=C1NC(=S)S2)Br

Isomeric SMILES

COC(=O)C1=CC(=CC2=C1NC(=S)S2)Br

InChI

InChI=1S/C9H6BrNO2S2/c1-13-8(12)5-2-4(10)3-6-7(5)11-9(14)15-6/h2-3H,1H3,(H,11,14)