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cis-2-Benzyl-4-( 2'-dimethylaminoethyl)-6,7-dihydro-6-hydroxy-7-( 4'-methoxyphenyl)thieno[2,3-b][1,4]thiazepin-5(4H)-one
SpectraBase Compound ID 9BkNttEAbgo
InChI InChI=1S/C25H28N2O3S2/c1-26(2)13-14-27-21-16-20(15-17-7-5-4-6-8-17)31-25(21)32-23(22(28)24(27)29)18-9-11-19(30-3)12-10-18/h4-12,16,22-23,28H,13-15H2,1-3H3
InChIKey ZZILKIFNARDDFY-UHFFFAOYSA-N
Mol Weight 468.63 g/mol
Molecular Formula C25H28N2O3S2
Exact Mass 468.154135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lAwWt9VOQ4
Name cis-2-Benzyl-4-( 2'-dimethylaminoethyl)-6,7-dihydro-6-hydroxy-7-( 4'-methoxyphenyl)thieno[2,3-b][1,4]thiazepin-5(4H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O3S2
InChI InChI=1S/C25H28N2O3S2/c1-26(2)13-14-27-21-16-20(15-17-7-5-4-6-8-17)31-25(21)32-23(22(28)24(27)29)18-9-11-19(30-3)12-10-18/h4-12,16,22-23,28H,13-15H2,1-3H3
InChIKey ZZILKIFNARDDFY-UHFFFAOYSA-N
Molecular Weight 468.630 g/mol
SMILES OC1C(Sc2c(N(C1=O)CCN(C)C)cc(s2)Cc1ccccc1)c1ccc(cc1)OC
SPLASH splash10-0a4j-9005100000-a36b02cc0e449b18d6f2
Source of Spectrum AH-126-578-26
Synonyms 2-Benzyl-4-[2-(dimethylamino)ethyl]-6-hydroxy-7-(4-methoxyphenyl)-6,7-dihydrothieno[2,3-b][1,4]thiazepin-5(4H)-one
Wiley ID 1392379