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

Systemtic Name: 2-methoxyethyl (4R,5S)-4-(4-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4R,5S)-4-(4-bromophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-bromophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R,5S)-4-(4-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-bromophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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