ethyl 7-[2-ethoxy-3,5-di(propan-2-yl)phenyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 7-[2-ethoxy-3,5-di(propan-2-yl)phenyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 7-(2-ethoxy-3,5-diisopropyl-phenyl)benzothiophene-2-carboxylate CAS Name: 7-[2-ethoxy-3,5-di(propan-2-yl)phenyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[2-ethoxy-3,5-di(propan-2-yl)phenyl]-1-benzothiophene-2-carboxylate Traditional Name: 7-(2-ethoxy-3,5-diisopropyl-phenyl)benzothiophene-2-carboxylic acid ethyl ester Formula: C25H30O3S MolecularWeight: 410.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=CC=CC3=C2SC(=C3)C(=O)OCC)C(C)C)C(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=CC=CC3=C2SC(=C3)C(=O)OCC)C(C)C)C(C)C

InChI

InChI=1S/C25H30O3S/c1-7-27-23-20(16(5)6)12-18(15(3)4)13-21(23)19-11-9-10-17-14-22(29-24(17)19)25(26)28-8-2/h9-16H,7-8H2,1-6H3