Chem
J-GLOBAL ID:200907050502491749   Nikkaji number:J2.526.450I

2-(Methoxycarbonyl)-3-amino-5-methyl-5-aza-1,4-dithia-5H-benzo[e]indene 4,4-dioxide

2-(メトキシカルボニル)-3-アミノ-5-メチル-5-アザ-1,4-ジチア-5H-ベンゾ[e]インデン4,4-ジオキシド
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: C13H12N2O2[O-]2S[S+2]
Molecular formula furigana: C13-H12-N2-O4-S2
Molecular weight: 324.370
InChI: InChI=1S/C13H12N2O4S2/c1-15-8-6-4-3-5-7(8)10-12(21(15,17)18)9(14)11(20-10)13(16)19-2/h3-6H,14H2,1-2H3
InChI key: VVIIORSISHSKDE-UHFFFAOYSA-N
SMILES: COC(=O)c1sc2c(c1N)[S+2]([O-])([O-])N(C)c1ccccc21
Systematic name  (3):
  • 2-(メトキシカルボニル)-3-アミノ-5-メチル-5-アザ-1,4-ジチア-5H-ベンゾ[e]インデン4,4-ジオキシド
  • 5-アミノ-4-(メトキシカルボニル)-8-メチル-3,7-ジチア-8-アザトリシクロ[7.4.0.02,6]トリデカ-1(13),2(6),4,9,11-ペンタエン-7,7-ジイウム-7,7-ビス(オラート)
  • 5-amino-4-(methoxycarbonyl)-8-methyl-3,7-dithia-8-azatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaene-7,7-diium-7,7-bis(olate)
Other name (1):
  • 2-(Methoxycarbonyl)-3-amino-5-methyl-5-aza-1,4-dithia-5H-benzo[e]indene 4,4-dioxide
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