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

Systemtic Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-methoxyphenyl)thiazol-4-yl]methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(3-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C19H14ClNO5S MolecularWeight: 403.83616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClNO5S/c1-23-14-4-2-3-11(5-14)18-21-13(9-27-18)8-24-19(22)12-6-15(20)17-16(7-12)25-10-26-17/h2-7,9H,8,10H2,1H3