2-[(5-bromanyl-1-benzothiophen-2-yl)methyl]-3-ethoxy-2-(4-methoxyphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[(5-bromanyl-1-benzothiophen-2-yl)methyl]-3-ethoxy-2-(4-methoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-[(5-bromobenzothiophen-2-yl)methyl]-3-ethoxy-2-(4-methoxyphenyl)-3-oxo-propanoic acid CAS Name: 2-[(5-bromo-1-benzothiophen-2-yl)methyl]-3-ethoxy-2-(4-methoxyphenyl)-3-oxopropanoic acid IUPAC Name: 2-[(5-bromo-1-benzothiophen-2-yl)methyl]-3-ethoxy-2-(4-methoxyphenyl)-3-oxopropanoic acid Traditional Name: 2-[(5-bromobenzothiophen-2-yl)methyl]-3-ethoxy-3-keto-2-(4-methoxyphenyl)propionic acid Formula: C21H19BrO5S MolecularWeight: 463.34156

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrO5S/c1-3-27-20(25)21(19(23)24,14-4-7-16(26-2)8-5-14)12-17-11-13-10-15(22)6-9-18(13)28-17/h4-11H,3,12H2,1-2H3,(H,23,24)