methyl (6S)-6-(4-bromanylthiophen-2-yl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(4-bromanylthiophen-2-yl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-allyl-6-(4-bromo-2-thienyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-bromo-2-thiophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(4-bromothiophen-2-yl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-allyl-6-(4-bromo-2-thienyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C14H15BrN2O2S2 MolecularWeight: 387.3151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC=C)C2=CC(=CS2)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CC=C)C2=CC(=CS2)Br)C(=O)OC

InChI

InChI=1S/C14H15BrN2O2S2/c1-4-5-17-8(2)11(13(18)19-3)12(16-14(17)20)10-6-9(15)7-21-10/h4,6-7,12H,1,5H2,2-3H3,(H,16,20)/t12-/m1/s1