ethyl 4-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C=C(C=C3C(=C2)C)C)C

InChI

InChI=1S/C24H26N2O3S/c1-5-29-24(28)18-6-8-19(9-7-18)25-21(27)10-11-30-22-14-16(3)20-13-15(2)12-17(4)23(20)26-22/h6-9,12-14H,5,10-11H2,1-4H3,(H,25,27)