diethyl 2-[(5-bromanyl-1-benzothiophen-2-yl)methyl]-2-(4-methoxyphenyl)propanedioate

Systemtic Name: diethyl 2-[(5-bromanyl-1-benzothiophen-2-yl)methyl]-2-(4-methoxyphenyl)propanedioate Openeye Name: diethyl 2-[(5-bromobenzothiophen-2-yl)methyl]-2-(4-methoxyphenyl)propanedioate CAS Name: 2-[(5-bromo-1-benzothiophen-2-yl)methyl]-2-(4-methoxyphenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-bromo-1-benzothiophen-2-yl)methyl]-2-(4-methoxyphenyl)propanedioate Traditional Name: 2-[(5-bromobenzothiophen-2-yl)methyl]-2-(4-methoxyphenyl)malonic acid diethyl ester Formula: C23H23BrO5S MolecularWeight: 491.39472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)Br)(C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)Br)(C3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C23H23BrO5S/c1-4-28-21(25)23(22(26)29-5-2,16-6-9-18(27-3)10-7-16)14-19-13-15-12-17(24)8-11-20(15)30-19/h6-13H,4-5,14H2,1-3H3