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

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-(2-quinolin-2-ylsulfanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-quinolylsulfanyl)acetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-quinolin-2-ylsulfanylacetyl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-quinolylthio)acetyl]amino]propionic acid methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N3O3S/c1-29-23(28)20(12-16-13-24-19-9-5-3-7-17(16)19)25-21(27)14-30-22-11-10-15-6-2-4-8-18(15)26-22/h2-11,13,20,24H,12,14H2,1H3,(H,25,27)/t20-/m0/s1