ethyl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]-2-ethylsulfanyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]-2-ethylsulfanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-(5-carbamimidoyl-1-oxo-isoindolin-2-yl)acetyl]-2-ethylsulfanyl-phenoxy]acetate CAS Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]-2-(ethylthio)phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)acetyl]-2-ethylsulfanylphenoxy]acetate Traditional Name: 2-[4-[2-(5-amidino-1-keto-isoindolin-2-yl)acetyl]-2-(ethylthio)phenoxy]acetic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N)SCC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N)SCC

InChI

InChI=1S/C23H25N3O5S/c1-3-30-21(28)13-31-19-8-6-14(10-20(19)32-4-2)18(27)12-26-11-16-9-15(22(24)25)5-7-17(16)23(26)29/h5-10H,3-4,11-13H2,1-2H3,(H3,24,25)