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6-(2-Ethoxycarbonylvinyl)-5-[(4-fluorophenylamino)thiomorpholin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine
SpectraBase Compound ID FAPBEnP7hc0
InChI InChI=1S/C34H30FN5O2S2/c1-2-42-28(41)18-17-27-32(37-34(40-19-21-43-22-20-40)36-26-15-13-25(35)14-16-26)30-29(23-9-5-3-6-10-23)31(38-39-33(30)44-27)24-11-7-4-8-12-24/h3-18H,2,19-22H2,1H3,(H,36,37)/b18-17+
InChIKey XOJXRDKROAVJNH-ISLYRVAYSA-N
Mol Weight 623.8 g/mol
Molecular Formula C34H30FN5O2S2
Exact Mass 623.182496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qbQdlD39U
Name 6-(2-Ethoxycarbonylvinyl)-5-[(4-fluorophenylamino)thiomorpholin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine
Alternate Name(s) (E)-3-[5-[[(4-fluoroanilino)-thiomorpholin-4-ylmethylidene]amino]-3,4-diphenyl-6-thieno[2,3-c]pyridazinyl]-2-propenoic acid ethyl ester Ethyl (E)-3-[5-[[(4-fluoroanilino)-thiomorpholin-4-ylmethylidene]amino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[5-[[(4-fluoroanilino)-thiomorpholino-methylene]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[5-[[[(4-fluorophenyl)amino]-thiomorpholin-4-yl-methylidene]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]prop-2-enoate
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Formula C34H30FN5O2S2
InChI InChI=1S/C34H30FN5O2S2/c1-2-42-28(41)18-17-27-32(37-34(40-19-21-43-22-20-40)36-26-15-13-25(35)14-16-26)30-29(23-9-5-3-6-10-23)31(38-39-33(30)44-27)24-11-7-4-8-12-24/h3-18H,2,19-22H2,1H3,(H,36,37)/b18-17+
InChIKey XOJXRDKROAVJNH-ISLYRVAYSA-N
Molecular Weight 623.765 g/mol
SMILES N(\C(=N/c1c2c(sc1\C=C\C(=O)OCC)nnc(c2-c1ccccc1)-c1ccccc1)N1CCSCC1)c1ccc(cc1)F
SPLASH splash10-00ds-5020194000-93f3372ee49e9c638f6d
Source of Spectrum F-54-8113-5
Wiley ID 807853