[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C16H13ClO5S MolecularWeight: 352.78942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H13ClO5S/c1-8-3-11(9(2)23-8)13(18)6-20-16(19)10-4-12(17)15-14(5-10)21-7-22-15/h3-5H,6-7H2,1-2H3