methyl 2-[2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetyl]amino]acetic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-26-15-8-9-16-17(14-6-4-3-5-7-14)11-20(23-18(16)10-15)28-13-19(24)22-12-21(25)27-2/h3-11H,12-13H2,1-2H3,(H,22,24)