[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-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 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H16ClNO6S MolecularWeight: 433.86214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO6S/c1-24-15-4-3-11(6-16(15)25-2)19-22-13(9-29-19)8-26-20(23)12-5-14(21)18-17(7-12)27-10-28-18/h3-7,9H,8,10H2,1-2H3