1,3-benzodioxol-5-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid piperonyl ester Formula: C20H17NO4S2 MolecularWeight: 399.48328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17NO4S2/c1-13-10-26-20(21-13)27-11-15-4-2-3-5-16(15)19(22)23-9-14-6-7-17-18(8-14)25-12-24-17/h2-8,10H,9,11-12H2,1H3