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5-[(4-chloro-benzylimino)-methyl]-4-oxo-2-phenylamino-4,5-dihydro-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID C6KQp96s8LF
InChI InChI=1S/C21H19ClN2O3S/c1-2-27-21(26)18-19(25)17(13-23-12-14-8-10-15(22)11-9-14)28-20(18)24-16-6-4-3-5-7-16/h3-11,13,17,24H,2,12H2,1H3/b23-13+
InChIKey TUVMBYZWTHEVLS-YDZHTSKRSA-N
Mol Weight 414.91 g/mol
Molecular Formula C21H19ClN2O3S
Exact Mass 414.080491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XfBuuwIJQT
Name 5-[(4-chloro-benzylimino)-methyl]-4-oxo-2-phenylamino-4,5-dihydro-thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 2-anilino-5-((E)-{[(E)-(4-chlorophenyl)methyl]imino}methyl)-4-oxo-4,5-dihydro-3-thiophenecarboxylate Ethyl 2-anilino-5-({[(4-chlorophenyl)methyl]imino}methyl)-4-oxo-4,5-dihydro-3-thiophenecarboxylate
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Formula C21H19ClN2O3S
InChI InChI=1S/C21H19ClN2O3S/c1-2-27-21(26)18-19(25)17(13-23-12-14-8-10-15(22)11-9-14)28-20(18)24-16-6-4-3-5-7-16/h3-11,13,17,24H,2,12H2,1H3/b23-13+
InChIKey TUVMBYZWTHEVLS-YDZHTSKRSA-N
Molecular Weight 414.907 g/mol
SMILES N(C1=C(C(C(S1)\C=N\Cc1ccc(cc1)Cl)=O)C(OCC)=O)c1ccccc1
SPLASH splash10-014i-2829600000-10e7530afbf6a34f670b
Wiley ID 1438699