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1-[2-Hydroxyethyl]-3-ethoxycarbonyl-5-(5-mercapto-1,3,4-oxadiazol-2-yl)methoxy-2-methylbenz[g]indole
SpectraBase Compound ID 1BTS2i0WbiR
InChI InChI=1S/C21H21N3O5S/c1-3-27-20(26)18-12(2)24(8-9-25)19-14-7-5-4-6-13(14)16(10-15(18)19)28-11-17-22-23-21(30)29-17/h4-7,10,25H,3,8-9,11H2,1-2H3,(H,23,30)
InChIKey VSOPIWRVNOAUTC-UHFFFAOYSA-N
Mol Weight 427.48 g/mol
Molecular Formula C21H21N3O5S
Exact Mass 427.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGdb2Vfe4l8
Name 1-[2-Hydroxyethyl]-3-ethoxycarbonyl-5-(5-mercapto-1,3,4-oxadiazol-2-yl)methoxy-2-methylbenz[g]indole
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Formula C21H21N3O5S
InChI InChI=1S/C21H21N3O5S/c1-3-27-20(26)18-12(2)24(8-9-25)19-14-7-5-4-6-13(14)16(10-15(18)19)28-11-17-22-23-21(30)29-17/h4-7,10,25H,3,8-9,11H2,1-2H3,(H,23,30)
InChIKey VSOPIWRVNOAUTC-UHFFFAOYSA-N
Molecular Weight 427.475 g/mol
SMILES OCC[n]1c(c(c2c1c1c(c(OCC3=NNC(O3)=S)c2)cccc1)C(OCC)=O)C
SPLASH splash10-0f81-0559100000-4d3a7dca8e3e6a08c94a
Source of Spectrum Y1-44B-798-7
Synonyms Ethyl 1-(2-hydroxyethyl)-2-methyl-5-((5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)methoxy)-1H-benzo[g]indole-3-carboxylate 1-(2-hydroxyethyl)-2-methyl-5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]-3-benzo[g]indolecarboxylic acid ethyl ester Ethyl 1-(2-hydroxyethyl)-2-methyl-5-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methoxy]benzo[g]indole-3-carboxylate Ethyl 1-(2-hydroxyethyl)-2-methyl-5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]benzo[g]indole-3-carboxylate
Wiley ID 1744353