methyl 4-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-[(E)-2-(2,3-dihydrobenzofuran-5-yl)vinyl]benzothiophene-2-carboxylate CAS Name: 4-[(E)-2-(2,3-dihydrobenzofuran-5-yl)ethenyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-[(E)-2-coumaran-5-ylvinyl]benzothiophene-2-carboxylic acid methyl ester Formula: C20H16O3S MolecularWeight: 336.40424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)C=CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)/C=C/C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H16O3S/c1-22-20(21)19-12-16-14(3-2-4-18(16)24-19)7-5-13-6-8-17-15(11-13)9-10-23-17/h2-8,11-12H,9-10H2,1H3/b7-5+