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

Systemtic Name: ethyl 4-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-3-27-22(26)16-8-10-17(11-9-16)23-20(25)12-13-28-21-14-15(2)18-6-4-5-7-19(18)24-21/h4-11,14H,3,12-13H2,1-2H3,(H,23,25)