5-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]-2-(2-piperidin-1-ylethoxy)benzenecarbonitrile hydrochloride

Systemtic Name: 5-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]-2-(2-piperidin-1-ylethoxy)benzenecarbonitrile hydrochloride Openeye Name: 5-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]-2-[2-(1-piperidyl)ethoxy]benzonitrile hydrochloride CAS Name: 5-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]-2-[2-(1-piperidinyl)ethoxy]benzonitrile hydrochloride IUPAC Name: 5-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]-2-(2-piperidin-1-ylethoxy)benzonitrile hydrochloride Traditional Name: 5-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]-2-(2-piperidinoethoxy)benzonitrile hydrochloride Formula: C29H27ClN2O4S MolecularWeight: 535.05368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=C(C=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)C#N.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=C(C=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)C#N.Cl

InChI

InChI=1S/C29H26N2O4S.ClH/c30-18-21-16-20(6-11-25(21)35-15-14-31-12-2-1-3-13-31)28(34)27-24-10-9-23(33)17-26(24)36-29(27)19-4-7-22(32)8-5-19;/h4-11,16-17,32-33H,1-3,12-15H2;1H