3-(2-Benzo[1,3]dioxol-5-yl-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl)-4-hydroxy-6-methyl-pyran-2-one

SpectraBase Compound ID	2kwH9l5hqVa
InChI	InChI=1S/C22H17NO5S/c1-12-8-16(24)21(22(25)28-12)15-10-20(29-19-5-3-2-4-14(19)23-15)13-6-7-17-18(9-13)27-11-26-17/h2-9,20,24H,10-11H2,1H3
InChIKey	OZGALNWXNJTTKM-UHFFFAOYSA-N Google Search
Mol Weight	407.44 g/mol
Molecular Formula	C22H17NO5S
Exact Mass	407.082744 g/mol

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SpectraBase Spectrum ID	KlDSuV0cvN9
Name	3-(2-Benzo[1,3]dioxol-5-yl-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl)-4-hydroxy-6-methyl-pyran-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H17NO5S
InChI	InChI=1S/C22H17NO5S/c1-12-8-16(24)21(22(25)28-12)15-10-20(29-19-5-3-2-4-14(19)23-15)13-6-7-17-18(9-13)27-11-26-17/h2-9,20,24H,10-11H2,1H3
InChIKey	OZGALNWXNJTTKM-UHFFFAOYSA-N
Molecular Weight	407.440 g/mol
SMILES	OC1=C(C(OC(=C1)C)=O)C=1CC(Sc2c(N1)cccc2)c1ccc2c(c1)OCO2
SPLASH	splash10-0002-4910000000-2e44eb5603edf7732adc
Synonyms	3-[2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl-2H-pyran-2-one
Wiley ID	1438429