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

Systemtic Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] pentanoate Openeye Name: [2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] pentanoate CAS Name: pentanoic acid [2-(4-hydroxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] pentanoate Traditional Name: valeric acid [2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl] ester Formula: C33H35NO5S MolecularWeight: 557.6997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C33H35NO5S/c1-2-3-7-30(36)39-27-16-17-28-29(22-27)40-33(24-8-12-25(35)13-9-24)31(28)32(37)23-10-14-26(15-11-23)38-21-20-34-18-5-4-6-19-34/h8-17,22,35H,2-7,18-21H2,1H3