1,3-benzodioxol-5-ylmethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid piperonyl ester Formula: C20H17NO6S MolecularWeight: 399.41708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H17NO6S/c1-23-15-6-4-13(8-17(15)24-2)19-21-14(10-28-19)20(22)25-9-12-3-5-16-18(7-12)27-11-26-16/h3-8,10H,9,11H2,1-2H3