ethyl 5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-2,4-bis(fluoranyl)benzoate

Systemtic Name: ethyl 5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-2,4-bis(fluoranyl)benzoate Openeye Name: ethyl 2,4-difluoro-5-(hexahydropyridazine-1-carbonylsulfanylamino)benzoate CAS Name: 5-[[[1-diazinanyl(oxo)methyl]thio]amino]-2,4-difluorobenzoic acid ethyl ester IUPAC Name: ethyl 5-(diazinane-1-carbonylsulfanylamino)-2,4-difluorobenzoate Traditional Name: 2,4-difluoro-5-[(hexahydropyridazine-1-carbonylthio)amino]benzoic acid ethyl ester Formula: C14H17F2N3O3S MolecularWeight: 345.364886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1F)F)NSC(=O)N2CCCCN2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1F)F)NSC(=O)N2CCCCN2

InChI

InChI=1S/C14H17F2N3O3S/c1-2-22-13(20)9-7-12(11(16)8-10(9)15)18-23-14(21)19-6-4-3-5-17-19/h7-8,17-18H,2-6H2,1H3