(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H15BrO4S MolecularWeight: 395.2676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H15BrO4S/c18-12-7-14-13(21-9-22-14)5-11(12)8-20-17(19)16-6-10-3-1-2-4-15(10)23-16/h5-7H,1-4,8-9H2