1-ethyl-6-fluoranyl-4-oxidanylidene-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[(4-isopropylthiazol-2-yl)methyl]-4-oxo-cinnoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[(4-propan-2-yl-2-thiazolyl)methyl]-3-cinnolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[(4-isopropylthiazol-2-yl)methyl]-4-keto-cinnoline-3-carboxylic acid Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)O)F)CC3=NC(=CS3)C(C)C

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)O)F)CC3=NC(=CS3)C(C)C

InChI

InChI=1S/C18H18FN3O3S/c1-4-22-14-5-10(6-15-20-13(8-26-15)9(2)3)12(19)7-11(14)17(23)16(21-22)18(24)25/h5,7-9H,4,6H2,1-3H3,(H,24,25)