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

Systemtic Name: ethyl 3-[2-(3,7-dimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(3,7-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(3,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3,7-dimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-4-27-22(26)17-6-5-7-18(12-17)23-20(25)13-28-21-15(3)11-16-9-8-14(2)10-19(16)24-21/h5-12H,4,13H2,1-3H3,(H,23,25)