methyl (4S,5S)-4-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4S,5S)-4-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5S)-4-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C15H17IN2O5 MolecularWeight: 432.21035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OC)I)O

InChI

InChI=1S/C15H17IN2O5/c1-4-23-10-6-8(5-9(16)13(10)19)12-11(14(20)22-3)7(2)17-15(21)18-12/h5-6,11-12,19H,2,4H2,1,3H3,(H2,17,18,21)/t11-,12-/m1/s1