ethyl 2-[2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[(3,5,7-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(3,5,7-trimethyl-2-quinolinyl)thio]ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3,5,7-trimethyl-2-quinolyl)thio]acetyl]amino]acetic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=C(C=C2C(=CC(=CC2=N1)C)C)C

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=C(C=C2C(=CC(=CC2=N1)C)C)C

InChI

InChI=1S/C18H22N2O3S/c1-5-23-17(22)9-19-16(21)10-24-18-13(4)8-14-12(3)6-11(2)7-15(14)20-18/h6-8H,5,9-10H2,1-4H3,(H,19,21)