methyl 5-ethynyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-ethynyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-ethynylbenzothiophene-2-carboxylate CAS Name: 5-ethynyl-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-ethynyl-1-benzothiophene-2-carboxylate Traditional Name: 5-ethynylbenzothiophene-2-carboxylic acid methyl ester Formula: C12H8O2S MolecularWeight: 216.25572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)C#C

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)C#C

InChI

InChI=1S/C12H8O2S/c1-3-8-4-5-10-9(6-8)7-11(15-10)12(13)14-2/h1,4-7H,2H3