methyl (2S)-3-phenyl-2-(2-quinolin-2-ylsulfanylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-(2-quinolin-2-ylsulfanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-(2-quinolylsulfanyl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(2-quinolylthio)acetyl]amino]propionic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O3S/c1-26-21(25)18(13-15-7-3-2-4-8-15)22-19(24)14-27-20-12-11-16-9-5-6-10-17(16)23-20/h2-12,18H,13-14H2,1H3,(H,22,24)/t18-/m0/s1