6-bromanyl-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(2,5-dimethyl-3-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(2,5-dimethyl-3-thiophenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(2,5-dimethyl-3-thienyl)cinchoninate Formula: C16H11BrNO2S- MolecularWeight: 361.23304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

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