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

Systemtic Name: 4-[2-(4-dimethylaminophenyl)-5-methoxy-1-benzothiophen-3-yl]but-3-yn-1-ol Openeye Name: 4-[2-(4-dimethylaminophenyl)-5-methoxy-benzothiophen-3-yl]but-3-yn-1-ol CAS Name: 4-[2-(4-dimethylaminophenyl)-5-methoxy-1-benzothiophen-3-yl]-3-butyn-1-ol IUPAC Name: 4-[2-(4-dimethylaminophenyl)-5-methoxy-1-benzothiophen-3-yl]but-3-yn-1-ol Traditional Name: 4-[2-(4-dimethylaminophenyl)-5-methoxy-benzothiophen-3-yl]but-3-yn-1-ol Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C(C3=C(S2)C=CC(=C3)OC)C#CCCO

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C(C3=C(S2)C=CC(=C3)OC)C#CCCO

InChI

InChI=1S/C21H21NO2S/c1-22(2)16-9-7-15(8-10-16)21-18(6-4-5-13-23)19-14-17(24-3)11-12-20(19)25-21/h7-12,14,23H,5,13H2,1-3H3