ethyl 3-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-3-26-21(25)15-7-6-8-16(12-15)22-19(24)13-27-20-11-14(2)17-9-4-5-10-18(17)23-20/h4-12H,3,13H2,1-2H3,(H,22,24)