6-bromanyl-2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(3-thienyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(3-thiophenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(3-thienyl)vinyl]cinchoninate Formula: C16H9BrNO2S- MolecularWeight: 359.21716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CC(=N2)C=CC3=CSC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CC(=N2)/C=C/C3=CSC=C3)C(=O)[O-]

InChI

InChI=1S/C16H10BrNO2S/c17-11-2-4-15-13(7-11)14(16(19)20)8-12(18-15)3-1-10-5-6-21-9-10/h1-9H,(H,19,20)/p-1/b3-1+