SpOx1_000536

Molecular Formula: C₅₁H₄₀N₄O₇S

InChI: InChI=1/C51H40N4O7S/c1-60-36-24-21-31(22-25-36)19-20-32-23-26-39-38(29-32)51(49(59)52-39)42(47(57)54-50-53-40-17-8-9-18-41(40)63-50)44-48(58)62-45(34-13-6-3-7-14-34)43(33-11-4-2-5-12-33)55(44)46(51)35-15-10-16-37(30-35)61-28-27-56/h2-18,21-26,29-30,42-46,56H,27-28H2,1H3,(H,52,59)(H,53,54,57)/t42-,43-,44-,45+,46+,51-/m0/s1/f/h52,54H

InChIKey: InChIKey=LMTFWMLSHLWOPR-LKVZHPPIDE
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=O)C34C(C5C(=O)OC(C(N5C4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9

Names:
    SpOx1_000536
    (2'R,3S,3'S,6'S,7'R,9'S)-N-benzothiazol-2-yl-9'-[3-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-2,5'-dioxo-2',3'-diphenyl-spiro[1H-indole-3,8'-4-oxa-1-azabicyclo[4.3.0]nonane]-7'-carboxamide

Registries:
    PubChem CID 6729475
    PubChem ID 11496350