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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O4S/c1-19(2,3)26-18(24)21-8-7-16(23)25-11-13-9-12-5-6-14(27-4)10-15(12)22-17(13)20/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)