methyl 2-[[4-(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(4-allyloxy-3-iodo-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[4-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[4-(4-allyloxy-3-iodo-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C24H24IN3O5S MolecularWeight: 593.43393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)OCC=C)OC)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)OCC=C)OC)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H24IN3O5S/c1-5-10-33-21-16(25)11-14(12-18(21)31-3)20-19(13(2)26-24(34)28-20)22(29)27-17-9-7-6-8-15(17)23(30)32-4/h5-9,11-12,20H,1,10H2,2-4H3,(H,27,29)(H2,26,28,34)