6-bromanyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(3-methyl-2-thienyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(3-methyl-2-thienyl)vinyl]cinchoninate Formula: C17H11BrNO2S- MolecularWeight: 373.24374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H12BrNO2S/c1-10-6-7-22-16(10)5-3-12-9-14(17(20)21)13-8-11(18)2-4-15(13)19-12/h2-9H,1H3,(H,20,21)/p-1/b5-3+