(E)-[1-(2-dimethylammonioethyl)-4,5-dioxo-2-thiophen-2-yl-pyrrolidin-3-ylidene]-(3-fluoro-4-propan-2-yloxy-phenyl)methanolate

Molecular Formula: C22H25FN2O4S


InChI: InChI=1/C22H25FN2O4S/c1-13(2)29-16-8-7-14(12-15(16)23)20(26)18-19(17-6-5-11-30-17)25(10-9-24(3)4)22(28)21(18)27/h5-8,11-13,19,26H,9-10H2,1-4H3/b20-18+/f/h26h,24H

InChIKey: InChIKey=LDMSSYDOCFNOSS-YANLRXFYDG
SMILES: CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC[NH+](C)C)C3=CC=CS3)[O-])F

Names:
    (E)-[1-(2-dimethylammonioethyl)-4,5-dioxo-2-thiophen-2-yl-pyrrolidin-3-ylidene]-(3-fluoro-4-propan-2-yloxy-phenyl)methanolate

Registries:
    PubChem CID 6272903
    PubChem ID 11584381