6-bromanyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(5-ethyl-2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(5-ethyl-2-thienyl)cinchoninate Formula: C16H11BrNO2S- MolecularWeight: 361.23304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C16H12BrNO2S/c1-2-10-4-6-15(21-10)14-8-12(16(19)20)11-7-9(17)3-5-13(11)18-14/h3-8H,2H2,1H3,(H,19,20)/p-1