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

Systemtic Name: ethyl 3-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 3-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]benzoate CAS Name: 3-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 3-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]benzoic acid ethyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C23H24N2O3S/c1-4-20(29-21-13-15(3)18-11-6-7-12-19(18)25-21)22(26)24-17-10-8-9-16(14-17)23(27)28-5-2/h6-14,20H,4-5H2,1-3H3,(H,24,26)