methyl 2-[1-[(2-bromanylquinolin-3-yl)methyl]-3-methyl-2-oxidanylidene-pyridin-4-yl]-2-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[1-[(2-bromanylquinolin-3-yl)methyl]-3-methyl-2-oxidanylidene-pyridin-4-yl]-2-methylsulfanyl-butanoate Openeye Name: methyl 2-[1-[(2-bromo-3-quinolyl)methyl]-3-methyl-2-oxo-4-pyridyl]-2-methylsulfanyl-butanoate CAS Name: 2-[1-[(2-bromo-3-quinolinyl)methyl]-3-methyl-2-oxo-4-pyridinyl]-2-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[1-[(2-bromoquinolin-3-yl)methyl]-3-methyl-2-oxopyridin-4-yl]-2-methylsulfanylbutanoate Traditional Name: 2-[1-[(2-bromo-3-quinolyl)methyl]-2-keto-3-methyl-4-pyridyl]-2-(methylthio)butyric acid methyl ester Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)N(C=C1)CC2=CC3=CC=CC=C3N=C2Br)C)(C(=O)OC)SC

Isomeric SMILES

CCC(C1=C(C(=O)N(C=C1)CC2=CC3=CC=CC=C3N=C2Br)C)(C(=O)OC)SC

InChI

InChI=1S/C22H23BrN2O3S/c1-5-22(29-4,21(27)28-3)17-10-11-25(20(26)14(17)2)13-16-12-15-8-6-7-9-18(15)24-19(16)23/h6-12H,5,13H2,1-4H3