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1-Benzothiophene-3-carboxylic acid, 2-[[2-[[5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID Loo8taNcM6s
InChI InChI=1S/C19H20N4O4S2/c1-2-26-18(25)15-11-6-3-4-8-13(11)29-17(15)20-14(24)10-28-19-21-16(22-23-19)12-7-5-9-27-12/h5,7,9H,2-4,6,8,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKey FLESOSVUQYPLNP-UHFFFAOYSA-N
Mol Weight 432.51 g/mol
Molecular Formula C19H20N4O4S2
Exact Mass 432.092597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xwH3oEy8Dk
Name 1-Benzothiophene-3-carboxylic acid, 2-[[2-[[5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
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Formula C19H20N4O4S2
InChI InChI=1S/C19H20N4O4S2/c1-2-26-18(25)15-11-6-3-4-8-13(11)29-17(15)20-14(24)10-28-19-21-16(22-23-19)12-7-5-9-27-12/h5,7,9H,2-4,6,8,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKey FLESOSVUQYPLNP-UHFFFAOYSA-N
Molecular Weight 432.513 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(CSc1nnc([nH]1)-c1occc1)=O
SPLASH splash10-004i-7930000000-dc9e8d8d8edcfd4bce7c
Source of Spectrum IY-1-4504-2
Synonyms 2-[[2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1653025