methyl (2R,3S)-3-methyl-2-(2-quinolin-2-ylsulfanylethanoylamino)pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-(2-quinolin-2-ylsulfanylethanoylamino)pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-(2-quinolylsulfanyl)acetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-(2-quinolylthio)acetyl]amino]valeric acid methyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H22N2O3S/c1-4-12(2)17(18(22)23-3)20-15(21)11-24-16-10-9-13-7-5-6-8-14(13)19-16/h5-10,12,17H,4,11H2,1-3H3,(H,20,21)/t12-,17+/m0/s1