(2-benzamido-2-oxidanylidene-ethyl) 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-14-11-19(22-17-10-6-5-9-16(14)17)28-13-20(25)27-12-18(24)23-21(26)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,23,24,26)