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

Systemtic Name: methyl 2-[[(4R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[(4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[(4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C22H22BrN3O5S MolecularWeight: 520.39618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C(=O)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C(=O)OC)Br)O

InChI

InChI=1S/C22H22BrN3O5S/c1-4-31-16-10-12(9-14(23)19(16)27)18-17(11(2)24-22(32)26-18)20(28)25-15-8-6-5-7-13(15)21(29)30-3/h5-10,18,27H,4H2,1-3H3,(H,25,28)(H2,24,26,32)/t18-/m1/s1