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

Systemtic Name: ethyl (4S,5R)-4-(2-ethoxy-5-iodanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(2-ethoxy-5-iodo-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-ethoxy-5-iodophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(2-ethoxy-5-iodophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-ethoxy-5-iodo-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19IN2O4 MolecularWeight: 430.23753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)I)C2C(C(=C)NC(=O)N2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H19IN2O4/c1-4-22-12-7-6-10(17)8-11(12)14-13(15(20)23-5-2)9(3)18-16(21)19-14/h6-8,13-14H,3-5H2,1-2H3,(H2,18,19,21)/t13-,14+/m0/s1