methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylethanoylamino)propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylethanoylamino)propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(phenylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(phenylthio)acetyl]amino]propionic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-25-20(24)18(11-14-12-21-17-10-6-5-9-16(14)17)22-19(23)13-26-15-7-3-2-4-8-15/h2-10,12,18,21H,11,13H2,1H3,(H,22,23)/t18-/m1/s1