ethyl (4R)-4-(7-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(7-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(7-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(7-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(7-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(7-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15BrN2O4S MolecularWeight: 399.2596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C(=C2)Br)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC3=C(C(=C2)Br)OCO3)C

InChI

InChI=1S/C15H15BrN2O4S/c1-3-20-14(19)11-7(2)17-15(23)18-12(11)8-4-9(16)13-10(5-8)21-6-22-13/h4-5,12H,3,6H2,1-2H3,(H2,17,18,23)/t12-/m1/s1