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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-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 (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic 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:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H17BrO4S/c1-10-2-3-16-11(4-10)6-17(24-16)18(20)21-8-12-5-14-15(7-13(12)19)23-9-22-14/h5-7,10H,2-4,8-9H2,1H3/t10-/m0/s1