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

Systemtic Name: 2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-bromo-2-thienyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(4-bromothiophen-2-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-bromo-2-thienyl)vinyl]cinchoninic acid Formula: C16H10BrNO2S MolecularWeight: 360.2251

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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)/b6-5+