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2-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3OVMb1YXKfW
InChI InChI=1S/C17H19N3O4S2/c1-3-24-16(23)14-10-5-4-6-11(10)26-15(14)19-13(22)8-25-17-18-9(2)7-12(21)20-17/h7H,3-6,8H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKey YJYUZSPMTHNNSM-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C17H19N3O4S2
Exact Mass 393.081698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mTkmi5Cc9a
Name 2-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O4S2
InChI InChI=1S/C17H19N3O4S2/c1-3-24-16(23)14-10-5-4-6-11(10)26-15(14)19-13(22)8-25-17-18-9(2)7-12(21)20-17/h7H,3-6,8H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKey YJYUZSPMTHNNSM-UHFFFAOYSA-N
Molecular Weight 393.476 g/mol
SMILES N(c1c(c2CCCc2s1)C(=O)OCC)C(CSC=1NC(C=C(N1)C)=O)=O
SPLASH splash10-03xr-2920000000-ff981a3d248881cc2873
Synonyms 2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Ethyl 2-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Ethyl 2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Wiley ID 1453916