(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl

InChI

InChI=1S/C20H25ClN2O4S/c1-20(2,3)27-19(25)22-9-5-6-17(24)26-12-14-10-13-7-8-15(28-4)11-16(13)23-18(14)21/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,22,25)