methyl 2-(3-acetyloxy-4-fluoranyl-phenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(3-acetyloxy-4-fluoranyl-phenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(3-acetoxy-4-fluoro-phenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophene-6-carboxylate CAS Name: 2-(3-acetyloxy-4-fluorophenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-acetyloxy-4-fluorophenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxylate Traditional Name: 2-(3-acetoxy-4-fluoro-phenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophene-6-carboxylic acid methyl ester Formula: C32H30FNO6S MolecularWeight: 575.647103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)F

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)F

InChI

InChI=1S/C32H30FNO6S/c1-20(35)40-27-18-22(9-13-26(27)33)31-29(25-12-8-23(32(37)38-2)19-28(25)41-31)30(36)21-6-10-24(11-7-21)39-17-16-34-14-4-3-5-15-34/h6-13,18-19H,3-5,14-17H2,1-2H3