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2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester
SpectraBase Compound ID 6CoIGAJyZxg
InChI InChI=1S/C22H20N4O3S/c1-14(23-13-15-8-4-3-5-9-15)20-17(12-19(27)29-2)25-26(21(20)28)22-24-16-10-6-7-11-18(16)30-22/h3-11,23H,12-13H2,1-2H3/b20-14-
InChIKey VPKPDPFTETWPRW-ZHZULCJRSA-N
Mol Weight 420.49 g/mol
Molecular Formula C22H20N4O3S
Exact Mass 420.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnpO67R3zW0
Name 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O3S
InChI InChI=1S/C22H20N4O3S/c1-14(23-13-15-8-4-3-5-9-15)20-17(12-19(27)29-2)25-26(21(20)28)22-24-16-10-6-7-11-18(16)30-22/h3-11,23H,12-13H2,1-2H3/b20-14-
InChIKey VPKPDPFTETWPRW-ZHZULCJRSA-N
Molecular Weight 420.487 g/mol
SMILES N(\C(=C/1C(N(c2nc3ccccc3s2)N=C1CC(=O)OC)=O)C)Cc1ccccc1
SPLASH splash10-0006-9410100000-67fa81e075f85c37207d
Synonyms 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-[1-[(phenylmethyl)amino]ethylidene]-3-pyrazolyl]acetic acid methyl ester Methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-oxo-pyrazol-3-yl]acetate Methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-4-[1-[(phenylmethyl)amino]ethylidene]pyrazol-3-yl]ethanoate
Wiley ID 1443022