3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-benzothiophene

Systemtic Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-benzothiophene Openeye Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]benzothiophene CAS Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-benzothiophene IUPAC Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-benzothiophene Traditional Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]benzothiophene Formula: C18H14O2S MolecularWeight: 294.36756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C#CC2=CSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C#CC2=CSC3=CC=CC=C32)OC

InChI

InChI=1S/C18H14O2S/c1-19-15-10-9-13(17(11-15)20-2)7-8-14-12-21-18-6-4-3-5-16(14)18/h3-6,9-12H,1-2H3