4-[5-methoxy-2-(4-methylsulfanylphenyl)-1-benzothiophen-3-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[5-methoxy-2-(4-methylsulfanylphenyl)-1-benzothiophen-3-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[5-methoxy-2-(4-methylsulfanylphenyl)benzothiophen-3-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[5-methoxy-2-[4-(methylthio)phenyl]-1-benzothiophen-3-yl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[5-methoxy-2-(4-methylsulfanylphenyl)-1-benzothiophen-3-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[5-methoxy-2-[4-(methylthio)phenyl]benzothiophen-3-yl]-2-methyl-but-3-yn-2-ol Formula: C21H20O2S2 MolecularWeight: 368.5123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(SC2=C1C=C(C=C2)OC)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CC(C)(C#CC1=C(SC2=C1C=C(C=C2)OC)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C21H20O2S2/c1-21(2,22)12-11-17-18-13-15(23-3)7-10-19(18)25-20(17)14-5-8-16(24-4)9-6-14/h5-10,13,22H,1-4H3