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(2S,3R)-5-amino-2-(1,3-benzothiazole-2-carbonyl)-3-(2-furyl)-2,3-dihydrothiophene-4-carbonitrile
SpectraBase Compound ID DE05vUScrJA
InChI InChI=1S/C17H11N3O2S2/c18-8-9-13(11-5-3-7-22-11)15(24-16(9)19)14(21)17-20-10-4-1-2-6-12(10)23-17/h1-7,13,15H,19H2/t13-,15+/m1/s1
InChIKey DBFFQJQUUHIULC-HIFRSBDPSA-N
Mol Weight 353.41 g/mol
Molecular Formula C17H11N3O2S2
Exact Mass 353.029269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2junN43Em0
Name (2S,3R)-5-amino-2-(1,3-benzothiazole-2-carbonyl)-3-(2-furyl)-2,3-dihydrothiophene-4-carbonitrile
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Formula C17H11N3O2S2
InChI InChI=1S/C17H11N3O2S2/c18-8-9-13(11-5-3-7-22-11)15(24-16(9)19)14(21)17-20-10-4-1-2-6-12(10)23-17/h1-7,13,15H,19H2/t13-,15+/m1/s1
InChIKey DBFFQJQUUHIULC-HIFRSBDPSA-N
Molecular Weight 353.414 g/mol
SMILES NC=1S[C@](C(c2nc3ccccc3s2)=O)([C@](C1C#N)(c1occc1)[H])[H]
SPLASH splash10-000i-0906000000-aff9be5461b8b55be466
Source of Spectrum SK-31-1653-12
Synonyms (2S,3R)-5-amino-2-(1,3-benzothiazole-2-carbonyl)-3-(furan-2-yl)-2,3-dihydrothiophene-4-carbonitrile (2S,3R)-5-amino-2-[1,3-benzothiazol-2-yl(oxo)methyl]-3-(2-furanyl)-2,3-dihydrothiophene-4-carbonitrile (2S,3R)-5-azanyl-2-(1,3-benzothiazol-2-ylcarbonyl)-3-(furan-2-yl)-2,3-dihydrothiophene-4-carbonitrile
Wiley ID 881973