2-methylpropyl (4S)-4-(4-bromanylthiophen-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (4S)-4-(4-bromanylthiophen-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (4S)-4-(4-bromo-2-thienyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-bromo-2-thiophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S)-4-(4-bromothiophen-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-bromo-2-thienyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C14H17BrN2O2S2 MolecularWeight: 389.33098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CS2)Br)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=CS2)Br)C(=O)OCC(C)C

InChI

InChI=1S/C14H17BrN2O2S2/c1-7(2)5-19-13(18)11-8(3)16-14(20)17-12(11)10-4-9(15)6-21-10/h4,6-7,12H,5H2,1-3H3,(H2,16,17,20)/t12-/m1/s1