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

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H19NO6S/c1-3-25-16-6-4-13(8-18(16)24-2)20-22-15(11-29-20)10-26-21(23)14-5-7-17-19(9-14)28-12-27-17/h4-9,11H,3,10,12H2,1-2H3