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

Systemtic Name: methyl 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-thioxo-3H-1,3-benzothiazole-6-carboxylate CAS Name: 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylate Traditional Name: 2-thioxo-3H-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C9H7NO2S2 MolecularWeight: 225.28738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC(=S)S2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC(=S)S2

InChI

InChI=1S/C9H7NO2S2/c1-12-8(11)5-2-3-6-7(4-5)14-9(13)10-6/h2-4H,1H3,(H,10,13)