methyl 4-[[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O3S/c1-14-5-4-6-18-15(2)11-20(24-21(14)18)28-13-19(25)23-12-16-7-9-17(10-8-16)22(26)27-3/h4-11H,12-13H2,1-3H3,(H,23,25)