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

Systemtic Name: methyl (4S,5R)-4-(2-butoxy-5-iodanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5R)-4-(2-butoxy-5-iodo-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-butoxy-5-iodophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(2-butoxy-5-iodophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-butoxy-5-iodo-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C17H21IN2O4 MolecularWeight: 444.26411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)I)C2C(C(=C)NC(=O)N2)C(=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)I)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC

InChI

InChI=1S/C17H21IN2O4/c1-4-5-8-24-13-7-6-11(18)9-12(13)15-14(16(21)23-3)10(2)19-17(22)20-15/h6-7,9,14-15H,2,4-5,8H2,1,3H3,(H2,19,20,22)/t14-,15+/m0/s1