methyl 4-ethynyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-ethynyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-ethynylbenzothiophene-2-carboxylate CAS Name: 4-ethynyl-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-ethynyl-1-benzothiophene-2-carboxylate Traditional Name: 4-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(C=CC=C2S1)C#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)C#C

InChI

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