methyl 2-[[(4R,5R)-4-(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3C(=O)OC)I)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3C(=O)OC)I)OCC=C

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/h5-9,11-12,19-20H,1-2,10H2,3-4H3,(H,27,29)(H2,26,28,34)/t19-,20-/m0/s1