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trans-2-Acetyl-4-( 2'-dimethylaminoethyl)-6,7-dihydro-6-hydroxy-7-( 4'-methoxyphenyl)thieno[2,3-b][1,4]thiazepin-5(4H)-one

View entire compound with spectra: 1 MS (GC)

trans-2-Acetyl-4-( 2'-dimethylaminoethyl)-6,7-dihydro-6-hydroxy-7-( 4'-methoxyphenyl)thieno[2,3-b][1,4]thiazepin-5(4H)-one
SpectraBase Compound ID 5ILdFBKy3aV
InChI InChI=1S/C20H24N2O4S2/c1-12(23)16-11-15-20(27-16)28-18(13-5-7-14(26-4)8-6-13)17(24)19(25)22(15)10-9-21(2)3/h5-8,11,17-18,24H,9-10H2,1-4H3/t17-,18-/m1/s1
InChIKey FXTGIDLPOJDKQR-QZTJIDSGSA-N
Mol Weight 420.54 g/mol
Molecular Formula C20H24N2O4S2
Exact Mass 420.11775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLxX8GuvsCG
Name trans-2-Acetyl-4-( 2'-dimethylaminoethyl)-6,7-dihydro-6-hydroxy-7-( 4'-methoxyphenyl)thieno[2,3-b][1,4]thiazepin-5(4H)-one
Alternate Name(s) (6S,7R)-2-acetyl-4-[2-(dimethylamino)ethyl]-6-hydroxy-7-(4-methoxyphenyl)-6,7-dihydrothieno[2,3-b][1,4]thiazepin-5(4H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O4S2
InChI InChI=1S/C20H24N2O4S2/c1-12(23)16-11-15-20(27-16)28-18(13-5-7-14(26-4)8-6-13)17(24)19(25)22(15)10-9-21(2)3/h5-8,11,17-18,24H,9-10H2,1-4H3/t17-,18-/m1/s1
InChIKey FXTGIDLPOJDKQR-QZTJIDSGSA-N
Molecular Weight 420.542 g/mol
SMILES O[C@@]1([C@](Sc2c(N(C1=O)CCN(C)C)cc(s2)C(=O)C)(c1ccc(cc1)OC)[H])[H]
SPLASH splash10-0a4i-9000100000-ea92c9760902ffbe9a9c
Source of Spectrum AH-126-577-24
Wiley ID 1377848