Cetotiamine

Molecular Formula: C₁₈H₂₆N₄O₆S

InChI: InChI=1/C18H26N4O6S/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21)/b15-12-/f/h19H2

InChIKey: InChIKey=YBROOZNJUDHTGE-GSULNIQQDE
SMILES: CCOC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SC(=O)OCC

Names:
    Cetotiamina [INN-Spanish]
    Cetotiamine [INN]
    Cetotiamine
    Cetotiaminum [INN-Latin]
    ethyl [(Z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-5-ethoxycarbonyloxy-pent-2-en-3-yl]sulfanylformate
    O,S-Bis(ethoxycarbonyl)thiamine
    O,S-Dicarbethoxythiamine
    S-Ester of O-ethyl thiocarbonate with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate
    137-76-8

Registries:
    PubChem CID 3033983
    PubChem ID 210876