[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H14BrN3O3S MolecularWeight: 492.34456

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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)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C23H14BrN3O3S/c24-16-5-3-4-14(10-16)20-11-18(17-6-1-2-7-19(17)26-20)23(29)30-13-21(28)27-22-15(12-25)8-9-31-22/h1-11H,13H2,(H,27,28)