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(6S,7S)-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)

(6S,7S)-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 1HfVfd3cTWa
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-MSOLQXFVSA-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 DZeHw8v4G5Y
Name (6S,7S)-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) (6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[2,3-b][1,4]thiazepin-6-yl acetate Acetic acid[(6S,7S)-4-(2-dimethylaminoethyl)-5-keto-7-(4-methoxyphenyl)-6,7-dihydrothieno[2,3-b][1,4]thiazepin-6-yl]ester Acetic acid[(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-5-oxo-6,7-dihydrothieno[2,3-b][1,4]thiazepin-6-yl]ester cis-4,5,6,7-Tetrahydro-7-(4-methoxyphenyl)-5-oxo-4-[(2-Dimethylamino)ethyl]thieno[2,3-b][1,4]thiazepin-6-yl- acetate [(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-5-oxidanylidene-6,7-dihydrothieno[2,3-b][1,4]thiazepin-6-yl]ethanoate [(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-5-oxo-6,7-dihydrothieno[2,3-b][1,4]thiazepin-6-yl]acetate Acetic acid [(6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxo-6,7-dihydrothieno[2,3-b][1,4]thiazepin-6-yl] ester [(6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxo-6,7-dihydrothieno[2,3-b][1,4]thiazepin-6-yl] acetate [(6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxidanylidene-6,7-dihydrothieno[2,3-b][1,4]thiazepin-6-yl] ethanoate
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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-MSOLQXFVSA-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-9000000000-4cb61f4830462fb94987
Source of Spectrum H1-41-718-20
Wiley ID 757210