CHEBI:114587 - 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester

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ChEBI Name 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester
ChEBI ID CHEBI:114587
Stars This entity has been manually annotated by a third party.
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Formula C24H24N4O5S
Net Charge 0
Average Mass 480.538
Monoisotopic Mass 480.14674
InChI InChI=1S/C24H24N4O5S/c1-14-21(24(32)28(27(14)3)16-9-5-4-6-10-16)26-22(30)15(2)33-20(29)13-19-23(31)25-17-11-7-8-12-18(17)34-19/h4-12,15,19H,13H2,1-3H3,(H,25,31)(H,26,30)
InChIKey YQZBDSLRIRIKPW-UHFFFAOYSA-N
SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CC3C(=O)NC4=CC=CC=C4S3
ChEBI Ontology
Outgoing 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester (CHEBI:114587) is a pyrazoles (CHEBI:26410)
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester (CHEBI:114587) is a ring assembly (CHEBI:36820)
Manual Xref Database
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