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cis-4-( 2'-Dimethylaminoethyl)-2-ethyl-4,5,6,7-tetrahydro-7-( 4'-methoxyphenyl)-5-oxothieno[2,3-b][1,4]thiazepin-6'-yl) acetate

View entire compound with spectra: 1 MS (GC)

cis-4-( 2'-Dimethylaminoethyl)-2-ethyl-4,5,6,7-tetrahydro-7-( 4'-methoxyphenyl)-5-oxothieno[2,3-b][1,4]thiazepin-6'-yl) acetate
SpectraBase Compound ID GnPrcYXcTKi
InChI InChI=1S/C22H28N2O4S2/c1-6-17-13-18-22(29-17)30-20(15-7-9-16(27-5)10-8-15)19(28-14(2)25)21(26)24(18)12-11-23(3)4/h7-10,13,19-20H,6,11-12H2,1-5H3/t19-,20+/m1/s1
InChIKey HLTMKXAGBCQQQU-UXHICEINSA-N
Mol Weight 448.6 g/mol
Molecular Formula C22H28N2O4S2
Exact Mass 448.14905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbnBNIoVwam
Name cis-4-( 2'-Dimethylaminoethyl)-2-ethyl-4,5,6,7-tetrahydro-7-( 4'-methoxyphenyl)-5-oxothieno[2,3-b][1,4]thiazepin-6'-yl) acetate
Comments Less than 3 mono-isotopic peaks
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Formula C22H28N2O4S2
InChI InChI=1S/C22H28N2O4S2/c1-6-17-13-18-22(29-17)30-20(15-7-9-16(27-5)10-8-15)19(28-14(2)25)21(26)24(18)12-11-23(3)4/h7-10,13,19-20H,6,11-12H2,1-5H3/t19-,20+/m1/s1
InChIKey HLTMKXAGBCQQQU-UXHICEINSA-N
Molecular Weight 448.596 g/mol
SMILES c12c(N(C(=O)[C@@]([C@@](S2)(c2ccc(cc2)OC)[H])(OC(=O)C)[H])CCN(C)C)cc(s1)CC
SPLASH splash10-052b-7000900000-b9c2cb79cbf175a3fa29
Source of Spectrum AH-126-573-3
Synonyms (6S,7S)-4-[2-(dimethylamino)ethyl]-2-ethyl-7-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[2,3-b][1,4]thiazepin-6-yl acetate
Wiley ID 1387099