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

Systemtic Name: prop-2-enyl (4R,5S)-4-(4-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (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 prop-2-enyl ester IUPAC Name: prop-2-enyl (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 allyl ester Formula: C15H15BrN2O2S MolecularWeight: 367.2608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O2S/c1-3-8-20-14(19)12-9(2)17-15(21)18-13(12)10-4-6-11(16)7-5-10/h3-7,12-13H,1-2,8H2,(H2,17,18,21)/t12-,13+/m1/s1