methyl (2R)-3-(1H-indol-3-yl)-2-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyethanoylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyethanoylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[(E)-3-(2-thienyl)prop-2-enoyl]oxyacetyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enoxy]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[2-[(E)-3-(2-thienyl)acryloyl]oxyacetyl]amino]propionic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)COC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)COC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S/c1-27-21(26)18(11-14-12-22-17-7-3-2-6-16(14)17)23-19(24)13-28-20(25)9-8-15-5-4-10-29-15/h2-10,12,18,22H,11,13H2,1H3,(H,23,24)/b9-8+/t18-/m1/s1