methyl 3-[2-(4-methoxyphenyl)ethynyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-methoxyphenyl)ethynyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-(4-methoxyphenyl)ethynyl]benzothiophene-2-carboxylate CAS Name: 3-[2-(4-methoxyphenyl)ethynyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-methoxyphenyl)ethynyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-(4-methoxyphenyl)ethynyl]benzothiophene-2-carboxylic acid methyl ester Formula: C19H14O3S MolecularWeight: 322.37766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H14O3S/c1-21-14-10-7-13(8-11-14)9-12-16-15-5-3-4-6-17(15)23-18(16)19(20)22-2/h3-8,10-11H,1-2H3