ethyl 4-[[5-bromanyl-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]-3,5-diethyl-benzoate

Systemtic Name: ethyl 4-[[5-bromanyl-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]-3,5-diethyl-benzoate Openeye Name: ethyl 4-[[5-bromo-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxo-pyridine-3-carbonyl]amino]-3,5-diethyl-benzoate CAS Name: 4-[[[5-bromo-1,6-dimethyl-2-[(methylthio)methyl]-4-oxo-3-pyridinyl]-oxomethyl]amino]-3,5-diethylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-bromo-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxopyridine-3-carbonyl]amino]-3,5-diethylbenzoate Traditional Name: 4-[[5-bromo-4-keto-1,6-dimethyl-2-[(methylthio)methyl]nicotinoyl]amino]-3,5-diethyl-benzoic acid ethyl ester Formula: C23H29BrN2O4S MolecularWeight: 509.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C(N(C(=C(C2=O)Br)C)C)CSC)CC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C(N(C(=C(C2=O)Br)C)C)CSC)CC)C(=O)OCC

InChI

InChI=1S/C23H29BrN2O4S/c1-7-14-10-16(23(29)30-9-3)11-15(8-2)20(14)25-22(28)18-17(12-31-6)26(5)13(4)19(24)21(18)27/h10-11H,7-9,12H2,1-6H3,(H,25,28)