dimethyl 3-phenyl-1,2-thiazole-4,5-dicarboxylate

Systemtic Name: dimethyl 3-phenyl-1,2-thiazole-4,5-dicarboxylate Openeye Name: dimethyl 3-phenylisothiazole-4,5-dicarboxylate CAS Name: 3-phenylisothiazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-phenyl-1,2-thiazole-4,5-dicarboxylate Traditional Name: 3-phenylisothiazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SN=C1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SN=C1C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C13H11NO4S/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7H,1-2H3