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

Systemtic Name: methyl 4-[[5-bromanyl-1,6-dimethyl-2-(methylsulfanylmethyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]-3,5-diethyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4S/c1-7-13-9-15(22(28)29-5)10-14(8-2)19(13)24-21(27)17-16(11-30-6)25(4)12(3)18(23)20(17)26/h9-10H,7-8,11H2,1-6H3,(H,24,27)