2-propoxyethyl (4S,5R)-4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-propoxyethyl (4S,5R)-4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-propoxyethyl (4S,5R)-4-(3-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-propoxyethyl ester IUPAC Name: 2-propoxyethyl (4S,5R)-4-(3-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-propoxyethyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O4/c1-3-7-23-8-9-24-16(21)14-11(2)19-17(22)20-15(14)12-5-4-6-13(18)10-12/h4-6,10,14-15H,2-3,7-9H2,1H3,(H2,19,20,22)/t14-,15+/m0/s1