methyl 6-methoxy-3-(2-phenylethynyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-methoxy-3-(2-phenylethynyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-methoxy-3-(2-phenylethynyl)benzothiophene-2-carboxylate CAS Name: 6-methoxy-3-(2-phenylethynyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-3-(2-phenylethynyl)-1-benzothiophene-2-carboxylate Traditional Name: 6-methoxy-3-(2-phenylethynyl)benzothiophene-2-carboxylic acid methyl ester Formula: C19H14O3S MolecularWeight: 322.37766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)C#CC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)C#CC3=CC=CC=C3

InChI

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