[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] ester IUPAC Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl] ester Formula: C27H16BrN3O3S MolecularWeight: 542.40324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)C(=C4NC5=CC=CC=C5S4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)/C(=C/4\NC5=CC=CC=C5S4)/C#N

InChI

InChI=1S/C27H16BrN3O3S/c28-17-7-5-6-16(12-17)23-13-19(18-8-1-2-9-21(18)30-23)27(33)34-15-24(32)20(14-29)26-31-22-10-3-4-11-25(22)35-26/h1-13,31H,15H2/b26-20+