methyl 2-[2-[2-(2-phenyl-1-benzofuran-3-yl)-1-benzothiophen-3-yl]ethynyl]benzoate

Systemtic Name: methyl 2-[2-[2-(2-phenyl-1-benzofuran-3-yl)-1-benzothiophen-3-yl]ethynyl]benzoate Openeye Name: methyl 2-[2-[2-(2-phenylbenzofuran-3-yl)benzothiophen-3-yl]ethynyl]benzoate CAS Name: 2-[2-[2-(2-phenyl-3-benzofuranyl)-1-benzothiophen-3-yl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2-phenyl-1-benzofuran-3-yl)-1-benzothiophen-3-yl]ethynyl]benzoate Traditional Name: 2-[2-[2-(2-phenylbenzofuran-3-yl)benzothiophen-3-yl]ethynyl]benzoic acid methyl ester Formula: C32H20O3S MolecularWeight: 484.5644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CC2=C(SC3=CC=CC=C32)C4=C(OC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#CC2=C(SC3=CC=CC=C32)C4=C(OC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C32H20O3S/c1-34-32(33)23-14-6-5-11-21(23)19-20-25-24-15-8-10-18-28(24)36-31(25)29-26-16-7-9-17-27(26)35-30(29)22-12-3-2-4-13-22/h2-18H,1H3