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8H-Pyrido[1,2-d]thieno[2,3-f][1,4]thiazepine-11-carboxylic acid, 5-chloro-5,6-dihydro-8-oxo-9-phenyl-, methyl ester
SpectraBase Compound ID 4dsEGlktoHX
InChI InChI=1S/C19H14ClNO3S2/c1-24-19(23)13-9-12(11-5-3-2-4-6-11)18(22)21-10-15(20)26-14-7-8-25-17(14)16(13)21/h2-9,15H,10H2,1H3
InChIKey QZGWQHOYAJCGGF-UHFFFAOYSA-N
Mol Weight 403.9 g/mol
Molecular Formula C19H14ClNO3S2
Exact Mass 403.010363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Crvysw9Dx7P
Name 8H-Pyrido[1,2-d]thieno[2,3-f][1,4]thiazepine-11-carboxylic acid, 5-chloro-5,6-dihydro-8-oxo-9-phenyl-, methyl ester
Alternate Name(s) Methyl 5-chloro-5,6-dihydro-8-oxo-9-phenyl-8H-pyrido[1,2-d]thieno[2,3-f][1,4]thiazepine-11-carboxylate Methyl 5-chloro-8-oxo-9-phenyl-5,6-dihydro-8H-pyrido[1,2-d]thieno[2,3-f][1,4]thiazepine-11-carboxylate
CAS Registry Number 104604-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14ClNO3S2
InChI InChI=1S/C19H14ClNO3S2/c1-24-19(23)13-9-12(11-5-3-2-4-6-11)18(22)21-10-15(20)26-14-7-8-25-17(14)16(13)21/h2-9,15H,10H2,1H3
InChIKey QZGWQHOYAJCGGF-UHFFFAOYSA-N
Molecular Weight 403.898 g/mol
SMILES C12=C(C=C(C(N2CC(Cl)Sc2c1scc2)=O)c1ccccc1)C(=O)OC
SPLASH splash10-0wmi-0009700000-8222c8ffba4dfbb47e3e
Source of Spectrum H-73-780-26
Wiley ID 1370807