2-methoxyethyl (4R,5S)-4-(3-bromanyl-4-methoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methoxyethyl (4R,5S)-4-(3-bromanyl-4-methoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4R,5S)-4-(3-bromo-4-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-bromo-4-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R,5S)-4-(3-bromo-4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3-bromo-4-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H19BrN2O5 MolecularWeight: 399.23646

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

COCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C16H19BrN2O5/c1-9-13(15(20)24-7-6-22-2)14(19-16(21)18-9)10-4-5-12(23-3)11(17)8-10/h4-5,8,13-14H,1,6-7H2,2-3H3,(H2,18,19,21)/t13-,14+/m1/s1