Chem
J-GLOBAL ID:200907032051342070   Nikkaji number:J758.040A

5-Methyl-5,11-dihydro-2,3,5-triaza-10-thia-10H-dibenzo[a,d]cycloheptene-1,4-dicarboxylic acid dimethyl ester

5-メチル-5,11-ジヒドロ-2,3,5-トリアザ-10-チア-10H-ジベンゾ[a,d]シクロヘプテン-1,4-ジカルボン酸ジメチル
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: C16H15N3O4S
Molecular formula furigana: C16-H15-N3-O4-S
Molecular weight: 345.370
InChI: InChI=1S/C16H15N3O4S/c1-19-10-6-4-5-7-11(10)24-8-9-12(15(20)22-2)17-18-13(14(9)19)16(21)23-3/h4-7H,8H2,1-3H3
InChI key: MCIXWUOHFUDTLE-UHFFFAOYSA-N
SMILES: COC(=O)c1nnc(C(=O)OC)c2N(C)c3ccccc3SCc12
Systematic name  (3):
  • 5-メチル-5,11-ジヒドロ-2,3,5-トリアザ-10-チア-10H-ジベンゾ[a,d]シクロヘプテン-1,4-ジカルボン酸ジメチル
  • 4,7-ジメチル 2-メチル-10-チア-2,5,6-トリアザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3(8),4,6,11,13-ヘキサエン-4,7-ジカルボキシラート
  • 4,7-dimethyl 2-methyl-10-thia-2,5,6-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-4,7-dicarboxylate
Other name (1):
  • 5-Methyl-5,11-dihydro-2,3,5-triaza-10-thia-10H-dibenzo[a,d]cycloheptene-1,4-dicarboxylic acid dimethyl ester
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