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

Systemtic Name: 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]benzoate Formula: C20H17N2O3S- MolecularWeight: 365.42558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H18N2O3S/c1-12-4-3-5-16-13(2)10-18(22-19(12)16)26-11-17(23)21-15-8-6-14(7-9-15)20(24)25/h3-10H,11H2,1-2H3,(H,21,23)(H,24,25)/p-1