methyl 3-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 3-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 3-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]benzoic acid methyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC=CC(=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC=CC(=C3)C(=O)OC)C)C

InChI

InChI=1S/C23H24N2O3S/c1-14-10-16(3)22-19(11-14)15(2)12-21(25-22)29-9-8-20(26)24-18-7-5-6-17(13-18)23(27)28-4/h5-7,10-13H,8-9H2,1-4H3,(H,24,26)