2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(4-bromo-2-methylol-phenoxy)-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=C(C=C3)Br)CO

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=C(C=C3)Br)CO

InChI

InChI=1S/C20H20BrNO3S/c1-13-8-18(14(2)22(13)10-17-4-3-7-26-17)19(24)12-25-20-6-5-16(21)9-15(20)11-23/h3-9,23H,10-12H2,1-2H3