ethyl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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