Thiazolo[3,2-d]thieno[2,3-f][1,4]thiazepinium, 5,6-dihydro-8-hydroxy-9-phenyl-, hydroxide, inner salt

SpectraBase Compound ID	1EJHFhlBvib
InChI	InChI=1S/C15H11NOS3/c17-14-12(10-4-2-1-3-5-10)20-15-13-11(6-8-19-13)18-9-7-16(14)15/h1-6,8H,7,9H2
InChIKey	NBLXNQSIQHYPIF-UHFFFAOYSA-N Google Search
Mol Weight	317.44 g/mol
Molecular Formula	C15H11NOS3
Exact Mass	317.000277 g/mol

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SpectraBase Spectrum ID	4tNWm8sUfs
Name	Thiazolo[3,2-d]thieno[2,3-f][1,4]thiazepinium, 5,6-dihydro-8-hydroxy-9-phenyl-, hydroxide, inner salt
Alternate Name(s)	5,6-Dihydro-9-phenylthiazolo[3,2-d]thieno[2,3-f][1,4]thiazepin-7-ium 8-oxide 9-Phenyl-5H,6H-[1,3]thiazolo[3,2-d]thieno[2,3-f][1,4]thiazepin-7-ium-8-olate
CAS Registry Number	104587-48-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H11NOS3
InChI	InChI=1S/C15H11NOS3/c17-14-12(10-4-2-1-3-5-10)20-15-13-11(6-8-19-13)18-9-7-16(14)15/h1-6,8H,7,9H2
InChIKey	NBLXNQSIQHYPIF-UHFFFAOYSA-N
Molecular Weight	317.439 g/mol
SMILES	c1-2[n+](CCSc3c2scc3)c(c(s1)-c1ccccc1)[O-]
SPLASH	splash10-014i-0709000000-18c197941bddf29a9578
Source of Spectrum	H-73-775-3
Wiley ID	1317549