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

Systemtic Name: 2-methylsulfanylethyl (4R,5S)-4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4R,5S)-4-(3-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4R,5S)-4-(3-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3S/c1-9-12(14(19)21-6-7-22-2)13(18-15(20)17-9)10-4-3-5-11(16)8-10/h3-5,8,12-13H,1,6-7H2,2H3,(H2,17,18,20)/t12-,13+/m1/s1