(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic 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=CC=C(C=C1)SCCC(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C18H17BrO4S/c1-12-2-4-14(5-3-12)24-7-6-18(20)21-10-13-8-16-17(9-15(13)19)23-11-22-16/h2-5,8-9H,6-7,10-11H2,1H3