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

Systemtic Name: [(E)-but-2-enyl] (4S,5R)-4-(3-chlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: [(E)-but-2-enyl] (4S,5R)-4-(3-chlorophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-chlorophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] (4S,5R)-4-(3-chlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-chlorophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid [(E)-but-2-enyl] ester Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC=C2)Cl

Isomeric SMILES

C/C=C/COC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H17ClN2O3/c1-3-4-8-22-15(20)13-10(2)18-16(21)19-14(13)11-6-5-7-12(17)9-11/h3-7,9,13-14H,2,8H2,1H3,(H2,18,19,21)/b4-3+/t13-,14+/m0/s1