2-(5-bromanylthiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(5-bromo-2-thienyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(5-bromo-2-thiophenyl)-6,8-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(5-bromothiophen-2-yl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(5-bromo-2-thienyl)-6,8-dimethyl-cinchoninate Formula: C16H11BrNO2S- MolecularWeight: 361.23304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Br)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Br)C(=O)[O-])C

InChI

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