(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-phenylethanoylamino)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-phenylethanoylamino)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-[(2-phenylacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-[(2-phenylacetyl)amino]acetate Traditional Name: 2-[(2-phenylacetyl)amino]acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNC(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNC(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-28-17-8-7-15-10-16(21(22)24-18(15)11-17)13-27-20(26)12-23-19(25)9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3,(H,23,25)