3-oxidanylidenebutan-2-yl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (2-keto-1-methyl-propyl) ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C18H15NO3S/c1-11(20)12(2)22-18(21)14-10-16(17-8-5-9-23-17)19-15-7-4-3-6-13(14)15/h3-10,12H,1-2H3