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

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[2-[(E)-3-thiophen-3-ylprop-2-enoyl]oxyethanoylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[(E)-3-(3-thienyl)prop-2-enoyl]oxyacetyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-2-[(E)-1-oxo-3-(3-thiophenyl)prop-2-enoxy]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[(E)-3-thiophen-3-ylprop-2-enoyl]oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[2-[(E)-3-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-27-21(26)18(10-15-11-22-17-5-3-2-4-16(15)17)23-19(24)12-28-20(25)7-6-14-8-9-29-13-14/h2-9,11,13,18,22H,10,12H2,1H3,(H,23,24)/b7-6+/t18-/m1/s1