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3-[2-furanylmethyl-[[5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenyl]sulfonyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID HmhyFc2yok0
InChI InChI=1S/C19H21N3O5S3/c1-3-26-17(23)9-11-22(13-14-5-4-12-27-14)30(24,25)18-7-6-16(29-18)15-8-10-20-19(21-15)28-2/h4-8,10,12H,3,9,11,13H2,1-2H3
InChIKey VWGHBADCPXLKRW-UHFFFAOYSA-N
Mol Weight 467.57 g/mol
Molecular Formula C19H21N3O5S3
Exact Mass 467.064334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HOD84l5Gbw
Name 3-[2-furanylmethyl-[[5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenyl]sulfonyl]amino]propanoic acid ethyl ester
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Formula C19H21N3O5S3
InChI InChI=1S/C19H21N3O5S3/c1-3-26-17(23)9-11-22(13-14-5-4-12-27-14)30(24,25)18-7-6-16(29-18)15-8-10-20-19(21-15)28-2/h4-8,10,12H,3,9,11,13H2,1-2H3
InChIKey VWGHBADCPXLKRW-UHFFFAOYSA-N
Molecular Weight 467.573 g/mol
SMILES CCOC(CCN(S(c1sc(-c2nc(SC)ncc2)cc1)(=O)=O)Cc1occc1)=O
SPLASH splash10-0002-4900000000-3f06f40fc25519f2ab2a
Synonyms 3-[2-furfuryl-[[5-[2-(methylthio)pyrimidin-4-yl]-2-thienyl]sulfonyl]amino]propionic acid ethyl ester Ethyl 3-[(2-furylmethyl)({5-[2-(methylsulfanyl)-4-pyrimidinyl]-2-thienyl}sulfonyl)amino]propanoate Ethyl 3-[2-furylmethyl-[[5-(2-methylsulfanylpyrimidin-4-yl)-2-thienyl]sulfonyl]amino]propanoate Ethyl 3-[furan-2-ylmethyl-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-amino]propanoate
Wiley ID 1447003