2-Acetyl-7-benzzyloxy-5,6,6a,7-tetrahydro-6a-methylthio-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one

SpectraBase Compound ID	5lBQzyV3gSQ
InChI	InChI=1S/C19H19NO3S3/c1-12(21)15-10-14-18(26-15)25-9-8-19(24-2)16(17(22)20(14)19)23-11-13-6-4-3-5-7-13/h3-7,10,16H,8-9,11H2,1-2H3
InChIKey	FVTPJWQATOETRP-UHFFFAOYSA-N Google Search
Mol Weight	405.55 g/mol
Molecular Formula	C19H19NO3S3
Exact Mass	405.052707 g/mol

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SpectraBase Spectrum ID	DWTU83qJUkn
Name	2-Acetyl-7-benzzyloxy-5,6,6a,7-tetrahydro-6a-methylthio-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H19NO3S3
InChI	InChI=1S/C19H19NO3S3/c1-12(21)15-10-14-18(26-15)25-9-8-19(24-2)16(17(22)20(14)19)23-11-13-6-4-3-5-7-13/h3-7,10,16H,8-9,11H2,1-2H3
InChIKey	FVTPJWQATOETRP-UHFFFAOYSA-N
Molecular Weight	405.545 g/mol
SMILES	C12(N(c3c(SCC2)sc(c3)C(=O)C)C(C1OCc1ccccc1)=O)SC
SPLASH	splash10-0006-9001100000-f5a3afcff4061dafa13c
Source of Spectrum	H1-38-1636-20
Synonyms	2-Acetyl-7-(benzyloxy)-6a-(methylsulfanyl)-5,6,6a,7-tetrahydro-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one
Wiley ID	756554