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

Systemtic Name: methyl 3-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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