methyl 3-(1H-indol-3-yl)-2-[[3-(methylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[3-(methylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[[3-(methylsulfanylmethyl)benzofuran-2-carbonyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[[3-[(methylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[3-[(methylthio)methyl]benzofuran-2-carbonyl]amino]propionic acid methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C4=CC=CC=C4O3)CSC

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C4=CC=CC=C4O3)CSC

InChI

InChI=1S/C23H22N2O4S/c1-28-23(27)19(11-14-12-24-18-9-5-3-7-15(14)18)25-22(26)21-17(13-30-2)16-8-4-6-10-20(16)29-21/h3-10,12,19,24H,11,13H2,1-2H3,(H,25,26)