ethyl 7-(3-azanylpyrrolidin-1-yl)-1-(1,3-benzothiazol-2-yl)-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylate

Systemtic Name: ethyl 7-(3-azanylpyrrolidin-1-yl)-1-(1,3-benzothiazol-2-yl)-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylate Openeye Name: ethyl 7-(3-aminopyrrolidin-1-yl)-1-(1,3-benzothiazol-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate CAS Name: 7-(3-amino-1-pyrrolidinyl)-1-(1,3-benzothiazol-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-aminopyrrolidin-1-yl)-1-(1,3-benzothiazol-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate Traditional Name: 7-(3-aminopyrrolidino)-1-(1,3-benzothiazol-2-yl)-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid ethyl ester Formula: C22H20FN5O3S MolecularWeight: 453.489303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3CCC(C3)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3CCC(C3)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20FN5O3S/c1-2-31-21(30)14-11-28(22-25-16-5-3-4-6-17(16)32-22)19-13(18(14)29)9-15(23)20(26-19)27-8-7-12(24)10-27/h3-6,9,11-12H,2,7-8,10,24H2,1H3