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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-13-11-19(24-20-17(13)9-6-10-18(20)27-3)29-14(2)21(25)23-16-8-5-7-15(12-16)22(26)28-4/h5-12,14H,1-4H3,(H,23,25)