methyl 1-[(2-bromanylquinolin-3-yl)methyl]-4-(2-methylsulfanyl-1-oxidanylidene-1-propan-2-yloxy-butan-2-yl)-2-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[(2-bromanylquinolin-3-yl)methyl]-4-(2-methylsulfanyl-1-oxidanylidene-1-propan-2-yloxy-butan-2-yl)-2-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[(2-bromo-3-quinolyl)methyl]-4-(1-isopropoxycarbonyl-1-methylsulfanyl-propyl)-2-oxo-pyridine-3-carboxylate CAS Name: 1-[(2-bromo-3-quinolinyl)methyl]-4-[2-(methylthio)-1-oxo-1-propan-2-yloxybutan-2-yl]-2-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-bromoquinolin-3-yl)methyl]-4-(2-methylsulfanyl-1-oxo-1-propan-2-yloxybutan-2-yl)-2-oxopyridine-3-carboxylate Traditional Name: 1-[(2-bromo-3-quinolyl)methyl]-4-[1-isopropoxycarbonyl-1-(methylthio)propyl]-2-keto-nicotinic acid methyl ester Formula: C25H27BrN2O5S MolecularWeight: 547.46128

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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(=O)OC)(C(=O)OC(C)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN2O5S/c1-6-25(34-5,24(31)33-15(2)3)18-11-12-28(22(29)20(18)23(30)32-4)14-17-13-16-9-7-8-10-19(16)27-21(17)26/h7-13,15H,6,14H2,1-5H3