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

Systemtic Name: ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]benzoic acid ethyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S/c1-5-20(23(27)25-18-12-10-17(11-13-18)24(28)29-6-2)30-21-14-16(4)19-9-7-8-15(3)22(19)26-21/h7-14,20H,5-6H2,1-4H3,(H,25,27)