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2H,6H-Pyrimido[6,1-b][1,3]thiazine-4-carboxylic acid, 7,8,9,9a-tetrahydro-3-methyl-6,8-dioxo-9-[(phenoxyacetyl)amino]-, methyl ester, (9R-trans)-
SpectraBase Compound ID 4w2eIptJwyA
InChI InChI=1S/C18H19N3O6S/c1-10-9-28-16-13(19-12(22)8-27-11-6-4-3-5-7-11)15(23)20-18(25)21(16)14(10)17(24)26-2/h3-7,13,16H,8-9H2,1-2H3,(H,19,22)(H,20,23,25)/t13-,16-/m1/s1
InChIKey CGMIARNEDDFXIJ-CZUORRHYSA-N
Mol Weight 405.43 g/mol
Molecular Formula C18H19N3O6S
Exact Mass 405.099457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EswK9sVI5Jz
Name 2H,6H-Pyrimido[6,1-b][1,3]thiazine-4-carboxylic acid, 7,8,9,9a-tetrahydro-3-methyl-6,8-dioxo-9-[(phenoxyacetyl)amino]-, methyl ester, (9R-trans)-
CAS Registry Number 68897-25-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N3O6S
InChI InChI=1S/C18H19N3O6S/c1-10-9-28-16-13(19-12(22)8-27-11-6-4-3-5-7-11)15(23)20-18(25)21(16)14(10)17(24)26-2/h3-7,13,16H,8-9H2,1-2H3,(H,19,22)(H,20,23,25)/t13-,16-/m1/s1
InChIKey CGMIARNEDDFXIJ-CZUORRHYSA-N
Molecular Weight 405.425 g/mol
SMILES N1C([C@]([C@@]2(N(C1=O)C(=C(CS2)C)C(=O)OC)[H])(NC(=O)COc1ccccc1)[H])=O
SPLASH splash10-0006-0942100000-85882dbf63127780e467
Source of Spectrum KC-1978-821-0
Synonyms (9R,9aR)-methyl 7,8,9,9a)-tetrahydro-3-methyl-6,8-dioxo-10-phenoxyacetamido-2H,6H-pyrimino[6,1-b][1,3]-thiazine-4-carboxylate Methyl (9R,9aR)-3-methyl-6,8-dioxo-9-[(phenoxyacetyl)amino]-7,8,9,9a-tetrahydro-2H,6H-pyrimido[6,1-b][1,3]thiazine-4-carboxylate
Wiley ID 1371679