[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)/N

InChI

InChI=1S/C20H15N3O3S/c1-12(22)15(10-21)18(24)11-26-20(25)14-9-17(19-7-4-8-27-19)23-16-6-3-2-5-13(14)16/h2-9H,11,22H2,1H3/b15-12+