ethyl 3-[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethoxy]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethoxy]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[2-(4-benzyloxyphenyl)-2-oxo-ethoxy]benzothiophene-2-carboxylate CAS Name: 3-[2-oxo-2-(4-phenylmethoxyphenyl)ethoxy]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-oxo-2-(4-phenylmethoxyphenyl)ethoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-(4-benzoxyphenyl)-2-keto-ethoxy]benzothiophene-2-carboxylic acid ethyl ester Formula: C26H22O5S MolecularWeight: 446.51488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22O5S/c1-2-29-26(28)25-24(21-10-6-7-11-23(21)32-25)31-17-22(27)19-12-14-20(15-13-19)30-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3