(2-chloranylquinolin-3-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2-chloro-3-quinolyl)methyl (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid (2-chloro-3-quinolyl)methyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)N

InChI

InChI=1S/C16H18ClN3O3S/c1-24-7-6-13(20-16(18)22)15(21)23-9-11-8-10-4-2-3-5-12(10)19-14(11)17/h2-5,8,13H,6-7,9H2,1H3,(H3,18,20,22)/t13-/m1/s1