ethyl 4-fluoranyl-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-(2-hydroxyphenyl)-1-piperazinyl]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[4-(2-hydroxyphenyl)piperazino]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H23FN2O3S/c1-2-28-22(27)21-15(20-16(23)6-5-9-19(20)29-21)14-24-10-12-25(13-11-24)17-7-3-4-8-18(17)26/h3-9,26H,2,10-14H2,1H3