![(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](/api/spectrum/DZeHw8v4G5Y/structure.png?h=300&w=458 "(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)
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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 |
| 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-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 |
| Synonyms | (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 |
| Wiley ID | 757210 |