methyl 2-[[4-[5-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[5-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[5-bromo-2-(2-ethoxy-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[4-[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[4-[5-bromo-2-(2-ethoxy-2-keto-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C24H24BrN3O6S MolecularWeight: 562.43286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H24BrN3O6S/c1-4-33-19(29)12-34-18-10-9-14(25)11-16(18)21-20(13(2)26-24(35)28-21)22(30)27-17-8-6-5-7-15(17)23(31)32-3/h5-11,21H,4,12H2,1-3H3,(H,27,30)(H2,26,28,35)