[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 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)COC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

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

InChI

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