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

Systemtic Name: ethyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-4-fluoranyl-phenyl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H19ClFN3O3S2 MolecularWeight: 407.911063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClFN3O3S2/c1-2-23-14(21)9-24-13-8-12(11(17)7-10(13)16)19-25-15(22)20-6-4-3-5-18-20/h7-8,18-19H,2-6,9H2,1H3