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

Systemtic Name: ethyl 2-[2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(3,5,7-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(3,5,7-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3,5,7-trimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C=C3C(=CC(=CC3=N2)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C=C3C(=CC(=CC3=N2)C)C)C

InChI

InChI=1S/C23H24N2O3S/c1-5-28-23(27)17-8-6-7-9-19(17)24-21(26)13-29-22-16(4)12-18-15(3)10-14(2)11-20(18)25-22/h6-12H,5,13H2,1-4H3,(H,24,26)