ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

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