1,3-benzodioxol-5-ylmethyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid piperonyl ester Formula: C17H15BrO4S MolecularWeight: 395.2676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15BrO4S/c1-11-6-13(18)3-5-16(11)23-9-17(19)20-8-12-2-4-14-15(7-12)22-10-21-14/h2-7H,8-10H2,1H3