2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(4-bromo-2-thienyl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(4-bromothiophen-2-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(4-bromo-2-thienyl)vinyl]cinchoninate Formula: C16H9BrNO2S- MolecularWeight: 359.21716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C=CC3=CC(=CS3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CC(=CS3)Br)C(=O)[O-]

InChI

InChI=1S/C16H10BrNO2S/c17-10-7-12(21-9-10)6-5-11-8-14(16(19)20)13-3-1-2-4-15(13)18-11/h1-9H,(H,19,20)/p-1/b6-5+