methyl 4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-[2-(4-methoxyphenyl)benzothiophen-3-yl]vinyl]benzoate CAS Name: 4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[2-(4-methoxyphenyl)benzothiophen-3-yl]vinyl]benzoic acid methyl ester Formula: C25H20O3S MolecularWeight: 400.4895

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C=CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)/C=C/C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H20O3S/c1-27-20-14-12-18(13-15-20)24-22(21-5-3-4-6-23(21)29-24)16-9-17-7-10-19(11-8-17)25(26)28-2/h3-16H,1-2H3/b16-9+