methyl (4R,5S)-4-[3-iodanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5S)-4-[3-iodanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-[4-(2-anilino-2-oxo-ethoxy)-3-iodo-5-methoxy-phenyl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-[4-(2-anilino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-[4-(2-anilino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-[4-(2-anilino-2-keto-ethoxy)-3-iodo-5-methoxy-phenyl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22IN3O6 MolecularWeight: 551.33105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC)I)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OC)I)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H22IN3O6/c1-12-18(21(28)31-3)19(26-22(29)24-12)13-9-15(23)20(16(10-13)30-2)32-11-17(27)25-14-7-5-4-6-8-14/h4-10,18-19H,1,11H2,2-3H3,(H,25,27)(H2,24,26,29)/t18-,19+/m1/s1