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

Systemtic Name: [3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H12N2O5S MolecularWeight: 344.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H12N2O5S/c1-9-7-24-15(18-9)11(5-17)12(19)6-21-16(20)10-2-3-13-14(4-10)23-8-22-13/h2-4,7,11H,6,8H2,1H3