6-bromanyl-2-(5-ethylthiophen-2-yl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(5-ethylthiophen-2-yl)-3-methyl-quinoline-4-carboxylate Openeye Name: 6-bromo-2-(5-ethyl-2-thienyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(5-ethyl-2-thiophenyl)-3-methyl-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(5-ethylthiophen-2-yl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(5-ethyl-2-thienyl)-3-methyl-cinchoninate Formula: C17H13BrNO2S- MolecularWeight: 375.25962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=C(S1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)[O-])C

InChI

InChI=1S/C17H14BrNO2S/c1-3-11-5-7-14(22-11)16-9(2)15(17(20)21)12-8-10(18)4-6-13(12)19-16/h4-8H,3H2,1-2H3,(H,20,21)/p-1