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

Systemtic Name: ethyl 4-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(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)C(C)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C22H22N2O3S/c1-4-27-22(26)16-9-11-17(12-10-16)23-21(25)15(3)28-20-13-14(2)18-7-5-6-8-19(18)24-20/h5-13,15H,4H2,1-3H3,(H,23,25)