(phenylmethyl) 4-[2-(4-methoxy-1-benzothiophen-2-yl)ethynyl]benzoate

Systemtic Name: (phenylmethyl) 4-[2-(4-methoxy-1-benzothiophen-2-yl)ethynyl]benzoate Openeye Name: benzyl 4-[2-(4-methoxybenzothiophen-2-yl)ethynyl]benzoate CAS Name: 4-[2-(4-methoxy-1-benzothiophen-2-yl)ethynyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(4-methoxy-1-benzothiophen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(4-methoxybenzothiophen-2-yl)ethynyl]benzoic acid benzyl ester Formula: C25H18O3S MolecularWeight: 398.47362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(SC2=CC=C1)C#CC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C=C(SC2=CC=C1)C#CC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H18O3S/c1-27-23-8-5-9-24-22(23)16-21(29-24)15-12-18-10-13-20(14-11-18)25(26)28-17-19-6-3-2-4-7-19/h2-11,13-14,16H,17H2,1H3