2-[4-[2-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]carbonylamino]propanoyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[2-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]carbonylamino]propanoyl]phenoxy]ethanoate Openeye Name: 2-[4-[2-[[4-(methylsulfanylcarbonimidoyl)benzoyl]amino]propanoyl]phenoxy]acetate CAS Name: 2-[4-[2-[[[4-[imino-(methylthio)methyl]phenyl]-oxomethyl]amino]-1-oxopropyl]phenoxy]acetate IUPAC Name: 2-[4-[2-[[4-(C-methylsulfanylcarbonimidoyl)benzoyl]amino]propanoyl]phenoxy]acetate Traditional Name: 2-[4-[2-[[4-[(methylthio)carbonimidoyl]benzoyl]amino]propanoyl]phenoxy]acetate Formula: C20H19N2O5S- MolecularWeight: 399.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OCC(=O)[O-])NC(=O)C2=CC=C(C=C2)C(=N)SC

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OCC(=O)[O-])NC(=O)C2=CC=C(C=C2)C(=N)SC

InChI

InChI=1S/C20H20N2O5S/c1-12(18(25)13-7-9-16(10-8-13)27-11-17(23)24)22-20(26)15-5-3-14(4-6-15)19(21)28-2/h3-10,12,21H,11H2,1-2H3,(H,22,26)(H,23,24)/p-1