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trans-4,5,6,7-Tetrahydro-7-(4-methoxyphenyl)-5-oxo-4-[(2-Dimethylamino)ethyl]thieno[2,3-b][1,4]thiazepin-6-yl- acetate

View entire compound with spectra: 1 MS (GC)

trans-4,5,6,7-Tetrahydro-7-(4-methoxyphenyl)-5-oxo-4-[(2-Dimethylamino)ethyl]thieno[2,3-b][1,4]thiazepin-6-yl- acetate
SpectraBase Compound ID EUKUGoqYBTl
InChI InChI=1S/C20H24N2O4S2/c1-13(23)26-17-18(14-5-7-15(25-4)8-6-14)28-20-16(9-12-27-20)22(19(17)24)11-10-21(2)3/h5-9,12,17-18H,10-11H2,1-4H3/t17-,18-/m1/s1
InChIKey NRYRMVSTAXTXJS-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 FSgiCfXuiUc
Name trans-4,5,6,7-Tetrahydro-7-(4-methoxyphenyl)-5-oxo-4-[(2-Dimethylamino)ethyl]thieno[2,3-b][1,4]thiazepin-6-yl- acetate
Alternate Name(s) 4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[2,3-b][1,4]thiazepin-6-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O4S2
InChI InChI=1S/C20H24N2O4S2/c1-13(23)26-17-18(14-5-7-15(25-4)8-6-14)28-20-16(9-12-27-20)22(19(17)24)11-10-21(2)3/h5-9,12,17-18H,10-11H2,1-4H3/t17-,18-/m1/s1
InChIKey NRYRMVSTAXTXJS-QZTJIDSGSA-N
Molecular Weight 420.542 g/mol
SMILES C1(N(c2c(S[C@@]([C@]1(OC(=O)C)[H])(c1ccc(cc1)OC)[H])scc2)CCN(C)C)=O
SPLASH splash10-0a4i-9000000000-64d59ca5bb3a6896dc78
Source of Spectrum H1-41-718-21
Wiley ID 757209