methyl 4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-(2-indan-5-ylethynyl)benzothiophene-2-carboxylate CAS Name: 4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-(2-indan-5-ylethynyl)benzothiophene-2-carboxylic acid methyl ester Formula: C21H16O2S MolecularWeight: 332.41554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)C#CC3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)C#CC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H16O2S/c1-23-21(22)20-13-18-16(5-3-7-19(18)24-20)11-9-14-8-10-15-4-2-6-17(15)12-14/h3,5,7-8,10,12-13H,2,4,6H2,1H3