Chem
J-GLOBAL ID:200907025832771131   Nikkaji number:J1.222.136C

9-[(2-Methoxyethyl)carbamoyl]-13-(2-thienylmethyl)-18-nitro-2-oxa-10,13-diazatricyclo[13.3.1.13,7]icosane-1(18),3(20),4,6,15(19),16-hexene-11,14-dione

9-[(2-メトキシエチル)カルバモイル]-13-(2-チエニルメチル)-18-ニトロ-2-オキサ-10,13-ジアザトリシクロ[13.3.1.13,7]イコサン-1(18),3(20),4,6,15(19),16-ヘキサエン-11,14-ジオン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C26H26N3[N+]O6[O-]S
Molecular formula furigana: C26-H26-N4-O7-S
Molecular weight: 538.580
InChI: InChI=1S/C26H26N4O7S/c1-36-10-9-27-25(32)21-13-17-4-2-5-19(12-17)37-23-14-18(7-8-22(23)30(34)35)26(33)29(16-24(31)28-21)15-20-6-3-11-38-20/h2-8,11-12,14,21H,9-10,13,15-16H2,1H3,(H,27,32)(H,28,31)
InChI key: YPAPUYHTNIRULJ-UHFFFAOYSA-N
SMILES: COCCNC(=O)C1Cc2cccc(Oc3cc(ccc3[N+](=O)[O-])C(=O)N(Cc3cccs3)CC(=O)N1)c2
Systematic name  (3):
  • 9-[(2-メトキシエチル)カルバモイル]-13-(2-チエニルメチル)-18-ニトロ-2-オキサ-10,13-ジアザトリシクロ[13.3.1.13,7]イコサン-1(18),3(20),4,6,15(19),16-ヘキサエン-11,14-ジオン
  • N-(2-メトキシエチル)-4-ニトロ-8,11-ジオキソ-9-[(チオフェン-2-イル)メチル]-2-オキサ-9,12-ジアザトリシクロ[13.3.1.13,7]イコサ-1(19),3(20),4,6,15,17-ヘキサエン-13-カルボキサミド
  • N-(2-methoxyethyl)-4-nitro-8,11-dioxo-9-[(thiophen-2-yl)methyl]-2-oxa-9,12-diazatricyclo[13.3.1.13,7]icosa-1(19),3(20),4,6,15,17-hexaene-13-carboxamide
Other name (1):
  • 9-[(2-Methoxyethyl)carbamoyl]-13-(2-thienylmethyl)-18-nitro-2-oxa-10,13-diazatricyclo[13.3.1.13,7]icosane-1(18),3(20),4,6,15(19),16-hexene-11,14-dione
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