Chem
J-GLOBAL ID:200907004703793342   Nikkaji number:J971.696C

(3aS,7aα)-1-[(S)-2-(Benzhydrylideneamino)-4-pentynoyl]-8,8-dimethyloctahydro-3aβ,6β-methano-2,1-benzisothiazole 2,2-dioxide

(3aS,7aα)-1-[(S)-2-(ベンズヒドリリデンアミノ)-4-ペンチノイル]-8,8-ジメチルオクタヒドロ-3aβ,6β-メタノ-2,1-ベンゾイソチアゾール2,2-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: C28H30N2O[O-]2[S+2]
Molecular formula furigana: C28-H30-N2-O3-S
Molecular weight: 474.620
InChI: InChI=1S/C28H30N2O3S/c1-4-11-23(29-25(20-12-7-5-8-13-20)21-14-9-6-10-15-21)26(31)30-24-18-22-16-17-28(24,27(22,2)3)19-34(30,32)33/h1,5-10,12-15,22-24H,11,16-19H2,2-3H3/t22-,23+,24-,28-/m1/s1
InChI key: VYTWPDIYKFPKFL-GFXAMXPBSA-N
SMILES: CC1(C)[C@@H]2CC[C@@]31C[S+2]([O-])([O-])N([C@@H]3C2)C(=O)[C@H](CC#C)N=C(c1ccccc1)c1ccccc1
Systematic name  (3):
  • (3aS,7aα)-1-[(S)-2-(ベンズヒドリリデンアミノ)-4-ペンチノイル]-8,8-ジメチルオクタヒドロ-3aβ,6β-メタノ-2,1-ベンゾイソチアゾール2,2-ジオキシド
  • (1S,5R,7R)-4-[(2S)-2-[(ジフェニルメチリデン)アミノ]ペンタ-4-イノイル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン-3,3-ジイウム-3,3-ビス(オラート)
  • (1S,5R,7R)-4-[(2S)-2-[(diphenylmethylidene)amino]pent-4-ynoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (1):
  • (3aS,7aα)-1-[(S)-2-(Benzhydrylideneamino)-4-pentynoyl]-8,8-dimethyloctahydro-3aβ,6β-methano-2,1-benzisothiazole 2,2-dioxide
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