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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC=C(S2)Br)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC=C(S2)Br)C(=O)OCC

InChI

InChI=1S/C14H17BrN2O2S2/c1-3-5-8-11(13(18)19-4-2)12(17-14(20)16-8)9-6-7-10(15)21-9/h6-7,12H,3-5H2,1-2H3,(H2,16,17,20)/t12-/m1/s1