ethyl 2-[(6-fluoranyl-2-propoxy-1,3-benzothiazol-5-yl)-methanoyl-amino]-1,2-diazinane-1-carboxylate

Systemtic Name: ethyl 2-[(6-fluoranyl-2-propoxy-1,3-benzothiazol-5-yl)-methanoyl-amino]-1,2-diazinane-1-carboxylate Openeye Name: ethyl 2-[(6-fluoro-2-propoxy-1,3-benzothiazol-5-yl)-formyl-amino]hexahydropyridazine-1-carboxylate CAS Name: 2-[(6-fluoro-2-propoxy-1,3-benzothiazol-5-yl)-formylamino]-1-diazinanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-fluoro-2-propoxy-1,3-benzothiazol-5-yl)-formylamino]diazinane-1-carboxylate Traditional Name: 2-[(6-fluoro-2-propoxy-1,3-benzothiazol-5-yl)-formyl-amino]hexahydropyridazine-1-carboxylic acid ethyl ester Formula: C18H23FN4O4S MolecularWeight: 410.463023

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=CC(=C(C=C2S1)F)N(C=O)N3CCCCN3C(=O)OCC

Isomeric SMILES

CCCOC1=NC2=CC(=C(C=C2S1)F)N(C=O)N3CCCCN3C(=O)OCC

InChI

InChI=1S/C18H23FN4O4S/c1-3-9-27-17-20-14-11-15(13(19)10-16(14)28-17)22(12-24)23-8-6-5-7-21(23)18(25)26-4-2/h10-12H,3-9H2,1-2H3