2-methoxyethyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-4-fluoranyl-phenyl]sulfanylpropanoate

Systemtic Name: 2-methoxyethyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-4-fluoranyl-phenyl]sulfanylpropanoate Openeye Name: 2-methoxyethyl 2-[2-chloro-4-fluoro-5-(hexahydropyridazine-1-carbonylsulfanylamino)phenyl]sulfanylpropanoate CAS Name: 2-[[2-chloro-5-[[[1-diazinanyl(oxo)methyl]thio]amino]-4-fluorophenyl]thio]propanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)-4-fluorophenyl]sulfanylpropanoate Traditional Name: 2-[[2-chloro-4-fluoro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]propionic acid 2-methoxyethyl ester Formula: C17H23ClFN3O4S2 MolecularWeight: 451.963623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCOC)SC1=C(C=C(C(=C1)NSC(=O)N2CCCCN2)F)Cl

Isomeric SMILES

CC(C(=O)OCCOC)SC1=C(C=C(C(=C1)NSC(=O)N2CCCCN2)F)Cl

InChI

InChI=1S/C17H23ClFN3O4S2/c1-11(16(23)26-8-7-25-2)27-15-10-14(13(19)9-12(15)18)21-28-17(24)22-6-4-3-5-20-22/h9-11,20-21H,3-8H2,1-2H3