dimethyl 3-(4-cyanophenyl)-1,2-thiazole-4,5-dicarboxylate

Systemtic Name: dimethyl 3-(4-cyanophenyl)-1,2-thiazole-4,5-dicarboxylate Openeye Name: dimethyl 3-(4-cyanophenyl)isothiazole-4,5-dicarboxylate CAS Name: 3-(4-cyanophenyl)isothiazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-cyanophenyl)-1,2-thiazole-4,5-dicarboxylate Traditional Name: 3-(4-cyanophenyl)isothiazole-4,5-dicarboxylic acid dimethyl ester Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O4S/c1-19-13(17)10-11(16-21-12(10)14(18)20-2)9-5-3-8(7-15)4-6-9/h3-6H,1-2H3