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

Systemtic Name: 1-ethyl-4-oxidanylidene-7-(2-pyridin-3-yl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-7-[2-(3-pyridyl)thiazol-4-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-7-[2-(3-pyridinyl)-4-thiazolyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-4-oxo-7-(2-pyridin-3-yl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-[2-(3-pyridyl)thiazol-4-yl]quinoline-3-carboxylic acid Formula: C20H15N3O3S MolecularWeight: 377.4164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O3S/c1-2-23-10-15(20(25)26)18(24)14-6-5-12(8-17(14)23)16-11-27-19(22-16)13-4-3-7-21-9-13/h3-11H,2H2,1H3,(H,25,26)