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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC)(C2=CC3=C(S2)C=CC(=C3)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC)(C2=CC3=C(S2)C=CC(=C3)Br)C(=O)OCC

InChI

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