(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C17H20ClN3O3S2 MolecularWeight: 413.942

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl)NC(=O)N

InChI

InChI=1S/C17H20ClN3O3S2/c1-25-6-5-13(21-17(19)23)16(22)24-9-11-7-10-3-4-12(26-2)8-14(10)20-15(11)18/h3-4,7-8,13H,5-6,9H2,1-2H3,(H3,19,21,23)/t13-/m1/s1