3-(4-ethylphenyl)-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]-2-benzofuran-1-ol

Systemtic Name: 3-(4-ethylphenyl)-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]-2-benzofuran-1-ol Openeye Name: 3-(4-ethylphenyl)-1-methyl-3-[2-(thiomorpholinomethyl)phenyl]isobenzofuran-1-ol CAS Name: 3-(4-ethylphenyl)-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]-1-isobenzofuranol IUPAC Name: 3-(4-ethylphenyl)-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]-2-benzofuran-1-ol Traditional Name: 3-(4-ethylphenyl)-1-methyl-3-[2-(thiomorpholinomethyl)phenyl]phthalan-1-ol Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2(C3=CC=CC=C3C(O2)(C)O)C4=CC=CC=C4CN5CCSCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C2(C3=CC=CC=C3C(O2)(C)O)C4=CC=CC=C4CN5CCSCC5

InChI

InChI=1S/C28H31NO2S/c1-3-21-12-14-23(15-13-21)28(26-11-7-6-10-25(26)27(2,30)31-28)24-9-5-4-8-22(24)20-29-16-18-32-19-17-29/h4-15,30H,3,16-20H2,1-2H3