(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-9,15,22H,11H2,1H3