2-[(E)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-[2-(4-chlorophenyl)thiazol-4-yl]vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-[2-(4-chlorophenyl)-4-thiazolyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-[2-(4-chlorophenyl)thiazol-4-yl]vinyl]cinchoninate Formula: C21H12ClN2O2S- MolecularWeight: 391.85018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C=CC3=CSC(=N3)C4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CSC(=N3)C4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C21H13ClN2O2S/c22-14-7-5-13(6-8-14)20-24-16(12-27-20)10-9-15-11-18(21(25)26)17-3-1-2-4-19(17)23-15/h1-12H,(H,25,26)/p-1/b10-9+