ethanoic acid; [2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Systemtic Name: ethanoic acid; [2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: acetic acid; [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: acetic acid; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: acetic acid; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: acetic acid; [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone Formula: C30H31NO6S MolecularWeight: 533.63524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO4S.C2H4O2/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;1-2(3)4/h4-13,18,30-31H,1-3,14-17H2;1H3,(H,3,4)