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

Systemtic Name: methyl 3-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 3-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]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)SCCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

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