[4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] heptanoate

Systemtic Name: [4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] heptanoate Openeye Name: [4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] heptanoate CAS Name: heptanoic acid [4-[6-hydroxy-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] heptanoate Traditional Name: enanthic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C35H39NO5S MolecularWeight: 585.75286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H39NO5S/c1-2-3-4-6-9-32(38)41-29-17-12-26(13-18-29)35-33(30-19-14-27(37)24-31(30)42-35)34(39)25-10-15-28(16-11-25)40-23-22-36-20-7-5-8-21-36/h10-19,24,37H,2-9,20-23H2,1H3