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

Systemtic Name: methyl (4S)-4-(5-bromanylthiophen-2-yl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C13H15BrN2O2S2 MolecularWeight: 375.3044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O2S2/c1-3-4-7-10(12(17)18-2)11(16-13(19)15-7)8-5-6-9(14)20-8/h5-6,11H,3-4H2,1-2H3,(H2,15,16,19)/t11-/m1/s1