methyl (2S)-3-(1H-indol-3-yl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-pyrimidylthio)acetyl]amino]propionic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H18N4O3S/c1-25-17(24)15(9-12-10-21-14-6-3-2-5-13(12)14)22-16(23)11-26-18-19-7-4-8-20-18/h2-8,10,15,21H,9,11H2,1H3,(H,22,23)/t15-/m0/s1