6-fluoranyl-4-oxidanylidene-7-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanylidene-7-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-7-[3-(2-thienylmethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-7-[3-(thiophen-2-ylmethylamino)-1-pyrrolidinyl]-1H-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 6-fluoro-4-oxo-7-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-[3-(2-thenylamino)pyrrolidino]-1H-1,8-naphthyridine-3-carboxylic acid Formula: C18H17FN4O3S MolecularWeight: 388.415983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NCC2=CC=CS2)C3=C(C=C4C(=O)C(=CNC4=N3)C(=O)O)F

Isomeric SMILES

C1CN(CC1NCC2=CC=CS2)C3=C(C=C4C(=O)C(=CNC4=N3)C(=O)O)F

InChI

InChI=1S/C18H17FN4O3S/c19-14-6-12-15(24)13(18(25)26)8-21-16(12)22-17(14)23-4-3-10(9-23)20-7-11-2-1-5-27-11/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,25,26)(H,21,22,24)