methyl (E)-4-[5-(2-carbamothioyl-1,2-diazinan-1-yl)-2-chloranyl-4-fluoranyl-phenoxy]pent-2-enoate

Systemtic Name: methyl (E)-4-[5-(2-carbamothioyl-1,2-diazinan-1-yl)-2-chloranyl-4-fluoranyl-phenoxy]pent-2-enoate Openeye Name: methyl (E)-4-[5-(2-carbamothioylhexahydropyridazin-1-yl)-2-chloro-4-fluoro-phenoxy]pent-2-enoate CAS Name: (E)-4-[5-(2-carbamothioyl-1-diazinanyl)-2-chloro-4-fluorophenoxy]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-4-[5-(2-carbamothioyldiazinan-1-yl)-2-chloro-4-fluorophenoxy]pent-2-enoate Traditional Name: (E)-4-[2-chloro-4-fluoro-5-(2-thiocarbamoylhexahydropyridazin-1-yl)phenoxy]pent-2-enoic acid methyl ester Formula: C17H21ClFN3O3S MolecularWeight: 401.883343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(=O)OC)OC1=C(C=C(C(=C1)N2CCCCN2C(=S)N)F)Cl

Isomeric SMILES

CC(/C=C/C(=O)OC)OC1=C(C=C(C(=C1)N2CCCCN2C(=S)N)F)Cl

InChI

InChI=1S/C17H21ClFN3O3S/c1-11(5-6-16(23)24-2)25-15-10-14(13(19)9-12(15)18)21-7-3-4-8-22(21)17(20)26/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,20,26)/b6-5+