(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H17BrO4S MolecularWeight: 409.29418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC2=CC3=C(C=C2Br)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC2=CC3=C(C=C2Br)OCO3)C

InChI

InChI=1S/C18H17BrO4S/c1-11-3-4-14(5-12(11)2)24-9-18(20)21-8-13-6-16-17(7-15(13)19)23-10-22-16/h3-7H,8-10H2,1-2H3