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4H-Pyrazole-3-acetic acid, 1-(1,3-benzothiazol-2-yl)-4-[1-ethoxyethylidene]-1,5-dihydro-5-oxo-, methyl ester, (4S)-
SpectraBase Compound ID JOM5AJHWHlt
InChI InChI=1S/C17H17N3O4S/c1-4-24-10(2)15-12(9-14(21)23-3)19-20(16(15)22)17-18-11-7-5-6-8-13(11)25-17/h5-8H,4,9H2,1-3H3/b15-10-
InChIKey IJYMQNNYJOMRBU-GDNBJRDFSA-N
Mol Weight 359.4 g/mol
Molecular Formula C17H17N3O4S
Exact Mass 359.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcpFXIpFzTW
Name 4H-Pyrazole-3-acetic acid, 1-(1,3-benzothiazol-2-yl)-4-[1-ethoxyethylidene]-1,5-dihydro-5-oxo-, methyl ester, (4S)-
Alternate Name(s) 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-3-pyrazolyl]acetic acid methyl ester Methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxopyrazol-3-yl]acetate Methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-pyrazol-3-yl]acetate Methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxidanylidene-pyrazol-3-yl]ethanoate
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Formula C17H17N3O4S
InChI InChI=1S/C17H17N3O4S/c1-4-24-10(2)15-12(9-14(21)23-3)19-20(16(15)22)17-18-11-7-5-6-8-13(11)25-17/h5-8H,4,9H2,1-3H3/b15-10-
InChIKey IJYMQNNYJOMRBU-GDNBJRDFSA-N
Molecular Weight 359.400 g/mol
SMILES CCO\C(=C/1C(=O)N(c2sc3c(n2)cccc3)N=C1CC(OC)=O)C
SPLASH splash10-052f-9443000000-75a6cc4330dace731b40
Source of Spectrum IY-1-4532-4
Wiley ID 1653307