(6-bromanyl-1,3-benzodioxol-5-yl)methyl 5-methylthiophene-2-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 5-methylthiophene-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C14H11BrO4S MolecularWeight: 355.20374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C14H11BrO4S/c1-8-2-3-13(20-8)14(16)17-6-9-4-11-12(5-10(9)15)19-7-18-11/h2-5H,6-7H2,1H3