methyl 4-[(E)-2-quinolin-3-ylethenyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-[(E)-2-quinolin-3-ylethenyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-[(E)-2-(3-quinolyl)vinyl]benzothiophene-2-carboxylate CAS Name: 4-[(E)-2-(3-quinolinyl)ethenyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-2-quinolin-3-ylethenyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-[(E)-2-(3-quinolyl)vinyl]benzothiophene-2-carboxylic acid methyl ester Formula: C21H15NO2S MolecularWeight: 345.4143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)C=CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)/C=C/C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H15NO2S/c1-24-21(23)20-12-17-15(6-4-8-19(17)25-20)10-9-14-11-16-5-2-3-7-18(16)22-13-14/h2-13H,1H3/b10-9+