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Ethyl (2E,5Z)-6-[5-Benzoyl-2,3-dihydro-7-(ethoxycarbonyl)-1H-pyrrolo[1,2-a]imidazol-1-yl]-6-phenyl-4-thiahexa-2,5-dienoate
SpectraBase Compound ID IZ0d9l0gNZe
InChI InChI=1S/C29H28N2O5S/c1-3-35-26(32)15-18-37-20-25(21-11-7-5-8-12-21)31-17-16-30-24(27(33)22-13-9-6-10-14-22)19-23(28(30)31)29(34)36-4-2/h5-15,18-20H,3-4,16-17H2,1-2H3/b18-15+,25-20-
InChIKey HRCHVKHUNNWXBC-XNIZYCPJSA-N
Mol Weight 516.61 g/mol
Molecular Formula C29H28N2O5S
Exact Mass 516.171893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 655x1qSKnMj
Name Ethyl (2E,5Z)-6-[5-Benzoyl-2,3-dihydro-7-(ethoxycarbonyl)-1H-pyrrolo[1,2-a]imidazol-1-yl]-6-phenyl-4-thiahexa-2,5-dienoate
CAS Registry Number 139313-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N2O5S
InChI InChI=1S/C29H28N2O5S/c1-3-35-26(32)15-18-37-20-25(21-11-7-5-8-12-21)31-17-16-30-24(27(33)22-13-9-6-10-14-22)19-23(28(30)31)29(34)36-4-2/h5-15,18-20H,3-4,16-17H2,1-2H3/b18-15+,25-20-
InChIKey HRCHVKHUNNWXBC-XNIZYCPJSA-N
Molecular Weight 516.612 g/mol
SMILES c12c(cc([n]2CCN1\C(=C/S\C=C\C(=O)OCC)c1ccccc1)C(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-0a4i-3930140000-4bd7fe19f2b97d0e5f25
Source of Spectrum J-57-2350-7
Synonyms Ethyl 5-benzoyl-1-((Z)-2-{[(1E)-3-ethoxy-3-oxo-1-propenyl]sulfanyl}-1-phenylethenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]imidazole-7-carboxylate
Wiley ID 1401430