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(Z)-2-[2-(methylthio)-3-imidazo[2,1-a]isoquinolinyl]-2-butenedioic acid dimethyl ester
SpectraBase Compound ID KuuPbhg76n3
InChI InChI=1S/C18H16N2O4S/c1-23-14(21)10-13(18(22)24-2)15-17(25-3)19-16-12-7-5-4-6-11(12)8-9-20(15)16/h4-10H,1-3H3/b13-10-
InChIKey AKFORUUHVCOGND-RAXLEYEMSA-N
Mol Weight 356.4 g/mol
Molecular Formula C18H16N2O4S
Exact Mass 356.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AOBElojqbi
Name (Z)-2-[2-(methylthio)-3-imidazo[2,1-a]isoquinolinyl]-2-butenedioic acid dimethyl ester
CAS Registry Number 117290-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O4S
InChI InChI=1S/C18H16N2O4S/c1-23-14(21)10-13(18(22)24-2)15-17(25-3)19-16-12-7-5-4-6-11(12)8-9-20(15)16/h4-10H,1-3H3/b13-10-
InChIKey AKFORUUHVCOGND-RAXLEYEMSA-N
Molecular Weight 356.396 g/mol
SMILES c-12[n](c(c(n2)SC)\C(=C\C(=O)OC)C(=O)OC)C=Cc2ccccc12
SPLASH splash10-0ue9-1092000000-451443e09ee1c7cb9ebe
Source of Spectrum Y-25-188-10
Synonyms (Z)-2-[2-(methylthio)imidaz[2,1-a]isoquinolin-3-yl]but-2-enedioic acid dimethyl ester Dimethyl (Z)-2-(2-methylsulfanylimidazo[2,1-a]isoquinolin-3-yl)but-2-enedioate
Wiley ID 1345652