ethyl 1-ethyl-4-oxidanylidene-7-(2-pyridin-3-yl-1,3-thiazol-4-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-oxidanylidene-7-(2-pyridin-3-yl-1,3-thiazol-4-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-4-oxo-7-[2-(3-pyridyl)thiazol-4-yl]quinoline-3-carboxylate CAS Name: 1-ethyl-4-oxo-7-[2-(3-pyridinyl)-4-thiazolyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-oxo-7-(2-pyridin-3-yl-1,3-thiazol-4-yl)quinoline-3-carboxylate Traditional Name: 1-ethyl-4-keto-7-[2-(3-pyridyl)thiazol-4-yl]quinoline-3-carboxylic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4)C(=O)OCC

InChI

InChI=1S/C22H19N3O3S/c1-3-25-12-17(22(27)28-4-2)20(26)16-8-7-14(10-19(16)25)18-13-29-21(24-18)15-6-5-9-23-11-15/h5-13H,3-4H2,1-2H3