| SpectraBase Compound ID | AuVCZBkf9YP |
|---|---|
| InChI | InChI=1S/C18H20N2O4S/c1-9-4-6-10(7-5-9)11-8-12-15(25-18(19)20-12)14(17(22)24-3)13(11)16(21)23-2/h4-7,11,13-14H,8H2,1-3H3,(H2,19,20)/t11-,13+,14+/m0/s1 |
| InChIKey | BADZMBUTLMRNKM-IACUBPJLSA-N |
| Mol Weight | 360.43 g/mol |
| Molecular Formula | C18H20N2O4S |
| Exact Mass | 360.114378 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9Vo752RyyCG |
|---|---|
| Name | Dimethyl (5R*,6R*,7S*)-2-Amino-5-(4-methylphenyl)-4,5,6,7-tetrahydrobenzothiazole-6,7-dicarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20N2O4S |
| InChI | InChI=1S/C18H20N2O4S/c1-9-4-6-10(7-5-9)11-8-12-15(25-18(19)20-12)14(17(22)24-3)13(11)16(21)23-2/h4-7,11,13-14H,8H2,1-3H3,(H2,19,20)/t11-,13+,14+/m0/s1 |
| InChIKey | BADZMBUTLMRNKM-IACUBPJLSA-N |
| Molecular Weight | 360.428 g/mol |
| SMILES | Nc1sc2[C@@]([C@](C(=O)OC)([C@@](Cc2n1)(c1ccc(cc1)C)[H])[H])(C(=O)OC)[H] |
| SPLASH | splash10-0f6x-0479000000-870a50e9f61143e59346 |
| Source of Spectrum | U1-2013-486-7a'' |
| Synonyms | (5R,6R,7S)-dimethyl 2-amino-5-(p-tolyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-6,7-dicarboxylate (5R,6R,7S)-2-amino-5-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6,7-dicarboxylic acid dimethyl ester Dimethyl (5R,6R,7S)-2-amino-5-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6,7-dicarboxylate Dimethyl (5R,6R,7S)-2-amino-5-(p-tolyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6,7-dicarboxylate Dimethyl (5R,6R,7S)-2-azanyl-5-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6,7-dicarboxylate |
| Wiley ID | 1735721 |