ethyl 3-[2-(3,7,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(3,7,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(3,7,8-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(3,7,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3,7,8-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=C1)NC(=O)CSC2=C(C=C3C=CC(=C(C3=N2)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=C3C=CC(=C(C3=N2)C)C)C

InChI

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