(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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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=C(S3)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H14ClN3O3S/c1-11(23)14(9-22)17(25)10-27-20(26)13-8-16(18-6-7-19(21)28-18)24-15-5-3-2-4-12(13)15/h2-8,14,23H,10H2,1H3