methyl 3-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1-benzofuran-2-yl]carbonylamino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1-benzofuran-2-yl]carbonylamino]phenyl]propanoate Openeye Name: methyl 3-[4-[[5-(methylsulfanylcarbonimidoyl)benzofuran-2-carbonyl]amino]phenyl]propanoate CAS Name: 3-[4-[[[5-[imino-(methylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1-benzofuran-2-carbonyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[5-[(methylthio)carbonimidoyl]benzofuran-2-carbonyl]amino]phenyl]propionic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)SC

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)SC

InChI

InChI=1S/C21H20N2O4S/c1-26-19(24)10-5-13-3-7-16(8-4-13)23-21(25)18-12-15-11-14(20(22)28-2)6-9-17(15)27-18/h3-4,6-9,11-12,22H,5,10H2,1-2H3,(H,23,25)