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

Systemtic Name: 4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]benzenecarbonitrile Openeye Name: 4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]benzonitrile CAS Name: 4-[6-hydroxy-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]benzonitrile IUPAC Name: 4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]benzonitrile Traditional Name: 4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]benzonitrile Formula: C29H26N2O3S MolecularWeight: 482.59334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O3S/c30-19-20-4-6-22(7-5-20)29-27(25-13-10-23(32)18-26(25)35-29)28(33)21-8-11-24(12-9-21)34-17-16-31-14-2-1-3-15-31/h4-13,18,32H,1-3,14-17H2