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6-(2-Ethoxycarbonylvinyl)-5-[(4-fluorophenylamino)piperidin-1-ylmethyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine
SpectraBase Compound ID 77xJPghHvXQ
InChI InChI=1S/C35H32FN5O2S/c1-2-43-29(42)21-20-28-33(38-35(41-22-10-5-11-23-41)37-27-18-16-26(36)17-19-27)31-30(24-12-6-3-7-13-24)32(39-40-34(31)44-28)25-14-8-4-9-15-25/h3-4,6-9,12-21H,2,5,10-11,22-23H2,1H3,(H,37,38)/b21-20+
InChIKey JRHKOXUGXNNSER-QZQOTICOSA-N
Mol Weight 605.7 g/mol
Molecular Formula C35H32FN5O2S
Exact Mass 605.226075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3z56CL1z6QV
Name 6-(2-Ethoxycarbonylvinyl)-5-[(4-fluorophenylamino)piperidin-1-ylmethyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine
Alternate Name(s) (E)-3-[5-[[(4-fluoroanilino)-(1-piperidinyl)methylidene]amino]-3,4-diphenyl-6-thieno[2,3-c]pyridazinyl]-2-propenoic acid ethyl ester (E)-3-[5-[[(4-fluoroanilino)-piperidino-methylene]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]acrylic acid ethyl ester Ethyl (2E)-3-(5-{[(E)-(4-fluoroanilino)(1-piperidinyl)methylidene]amino}-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-2-propenoate Ethyl (E)-3-[5-[[(4-fluoroanilino)-(1-piperidyl)methylene]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[5-[[(4-fluoroanilino)-piperidin-1-ylmethylidene]amino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[5-[[[(4-fluorophenyl)amino]-piperidin-1-yl-methylidene]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]prop-2-enoate
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Formula C35H32FN5O2S
InChI InChI=1S/C35H32FN5O2S/c1-2-43-29(42)21-20-28-33(38-35(41-22-10-5-11-23-41)37-27-18-16-26(36)17-19-27)31-30(24-12-6-3-7-13-24)32(39-40-34(31)44-28)25-14-8-4-9-15-25/h3-4,6-9,12-21H,2,5,10-11,22-23H2,1H3,(H,37,38)/b21-20+
InChIKey JRHKOXUGXNNSER-QZQOTICOSA-N
Molecular Weight 605.732 g/mol
SMILES N(\C(=N/c1c2c(sc1\C=C\C(=O)OCC)nnc(c2-c1ccccc1)-c1ccccc1)N1CCCCC1)c1ccc(cc1)F
SPLASH splash10-0apj-9210021000-fc867d54ff55e2f2aafa
Source of Spectrum F-54-8113-5
Wiley ID 807854