methyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-4-fluoranyl-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-4-fluoranyl-phenyl]sulfanylethanoate Openeye Name: methyl 2-[2-chloro-4-fluoro-5-(hexahydropyridazine-1-carbonylsulfanylamino)phenyl]sulfanylacetate CAS Name: 2-[[2-chloro-5-[[[1-diazinanyl(oxo)methyl]thio]amino]-4-fluorophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)-4-fluorophenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-4-fluoro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]acetic acid methyl ester Formula: C14H17ClFN3O3S2 MolecularWeight: 393.884483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C(=C1)NSC(=O)N2CCCCN2)F)Cl

Isomeric SMILES

COC(=O)CSC1=C(C=C(C(=C1)NSC(=O)N2CCCCN2)F)Cl

InChI

InChI=1S/C14H17ClFN3O3S2/c1-22-13(20)8-23-12-7-11(10(16)6-9(12)15)18-24-14(21)19-5-3-2-4-17-19/h6-7,17-18H,2-5,8H2,1H3