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

Systemtic Name: methyl 4-[(E)-2-pyridin-3-ylethenyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-[(E)-2-(3-pyridyl)vinyl]benzothiophene-2-carboxylate CAS Name: 4-[(E)-2-(3-pyridinyl)ethenyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-2-pyridin-3-ylethenyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-[(E)-2-(3-pyridyl)vinyl]benzothiophene-2-carboxylic acid methyl ester Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO2S/c1-20-17(19)16-10-14-13(5-2-6-15(14)21-16)8-7-12-4-3-9-18-11-12/h2-11H,1H3/b8-7+