Chem
J-GLOBAL ID:200907097724214944   Nikkaji number:J793.316I

Dithiocarbonic acid O-[[2-(methylthio)-7β-phenyl-7H-1-thia-6,8-dioxa-3-aza-3aα,4aβ,5,8aα,9,9aα-hexahydro-4H-cyclopenta[b]naphthalen]-9α-yl]S-methyl ester

ジチオ炭酸O-[[2-(メチルチオ)-7β-フェニル-7H-1-チア-6,8-ジオキサ-3-アザ-3aα,4aβ,5,8aα,9,9aα-ヘキサヒドロ-4H-シクロペンタ[b]ナフタレン]-9α-イル]S-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: C18H21NO3S4
Molecular formula furigana: C18-H21-N-O3-S4
Molecular weight: 427.610
InChI: InChI=1S/C18H21NO3S4/c1-24-17-19-12-8-11-9-20-16(10-6-4-3-5-7-10)21-13(11)14(15(12)26-17)22-18(23)25-2/h3-7,11-16H,8-9H2,1-2H3/t11-,12+,13-,14+,15+,16-/m1/s1
InChI key: ICKPIIXDPMXNGA-YUDUXTHKSA-N
SMILES: CSC(=S)O[C@@H]1[C@H]2SC(=N[C@H]2C[C@@H]2CO[C@H](O[C@@H]12)c1ccccc1)SC
Systematic name  (3):
  • ジチオ炭酸O-[[2-(メチルチオ)-7β-フェニル-7H-1-チア-6,8-ジオキサ-3-アザ-3aα,4aβ,5,8aα,9,9aα-ヘキサヒドロ-4H-シクロペンタ[b]ナフタレン]-9α-イル]S-メチル
  • (メチルスルファニル)({[(1R,3S,7S,8S,9R,11R)-5-(メチルスルファニル)-11-フェニル-10,12-ジオキサ-6-チア-4-アザトリシクロ[7.4.0.03,7]トリデカ-4-エン-8-イル]オキシ})メタンチオン
  • (methylsulfanyl)({[(1R,3S,7S,8S,9R,11R)-5-(methylsulfanyl)-11-phenyl-10,12-dioxa-6-thia-4-azatricyclo[7.4.0.03,7]tridec-4-en-8-yl]oxy})methanethione
Other name (1):
  • Dithiocarbonic acid O-[[2-(methylthio)-7β-phenyl-7H-1-thia-6,8-dioxa-3-aza-3aα,4aβ,5,8aα,9,9aα-hexahydro-4H-cyclopenta[b]naphthalen]-9α-yl]S-methyl ester
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