10-[4-(2-piperidin-1-ylethoxy)phenyl]-5aH-indeno[1,2-b][1]benzothiole-3,7-diol

Systemtic Name: 10-[4-(2-piperidin-1-ylethoxy)phenyl]-5aH-indeno[1,2-b][1]benzothiole-3,7-diol Openeye Name: 10-[4-[2-(1-piperidyl)ethoxy]phenyl]-5aH-indeno[1,2-b]benzothiophene-3,7-diol CAS Name: 10-[4-[2-(1-piperidinyl)ethoxy]phenyl]-5aH-indeno[1,2-b][1]benzothiole-3,7-diol IUPAC Name: 10-[4-(2-piperidin-1-ylethoxy)phenyl]-5aH-indeno[1,2-b][1]benzothiole-3,7-diol Traditional Name: 10-[4-(2-piperidinoethoxy)phenyl]-5aH-indeno[1,2-b]benzothiophene-3,7-diol Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3=C4C=CC(=CC4=C5C3=C6C=CC(=CC6S5)O)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3=C4C=CC(=CC4=C5C3=C6C=CC(=CC6S5)O)O

InChI

InChI=1S/C28H27NO3S/c30-19-6-10-22-24(16-19)28-27(23-11-7-20(31)17-25(23)33-28)26(22)18-4-8-21(9-5-18)32-15-14-29-12-2-1-3-13-29/h4-11,16-17,25,30-31H,1-3,12-15H2