methyl 3-[3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 3-[3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 3-[[3-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(8-methoxy-4-methyl-2-quinolyl)thio]propanoylamino]benzoic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-14-12-20(24-21-17(14)8-5-9-18(21)27-2)29-11-10-19(25)23-16-7-4-6-15(13-16)22(26)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,25)