ethyl (6S)-6-(5-bromanylthiophen-2-yl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-(5-bromanylthiophen-2-yl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(5-bromo-2-thienyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(5-bromo-2-thiophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(5-bromothiophen-2-yl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(5-bromo-2-thienyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H15BrN2O2S2 MolecularWeight: 375.3044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(S2)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC=C(S2)Br)C)C

InChI

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