[(E)-but-2-enyl] (4R,5S)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: [(E)-but-2-enyl] (4R,5S)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: [(E)-but-2-enyl] (4R,5S)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] (4R,5S)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid [(E)-but-2-enyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-4-6-9-25-17(22)15-11(3)19-18(23)20-16(15)12-7-8-13(21)14(10-12)24-5-2/h4,6-8,10,15-16,21H,3,5,9H2,1-2H3,(H2,19,20,23)/b6-4+/t15-,16+/m1/s1