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

Systemtic Name: ethyl 4-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S/c1-4-28-23(27)17-8-10-18(11-9-17)24-20(26)12-13-29-21-14-16(3)19-7-5-6-15(2)22(19)25-21/h5-11,14H,4,12-13H2,1-3H3,(H,24,26)