methyl 3-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 3-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 3-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]benzoic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3S/c1-14-12-20(23-18-9-4-3-8-17(14)18)27-11-10-19(24)22-16-7-5-6-15(13-16)21(25)26-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)