methyl (4S)-4-(2-bromanyl-4-butoxy-5-ethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(2-bromanyl-4-butoxy-5-ethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-bromo-4-butoxy-5-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-bromo-4-butoxy-5-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H25BrN2O4S MolecularWeight: 457.3818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)[C@@H]2C(=C(NC(=S)N2)C)C(=O)OC)OCC

InChI

InChI=1S/C19H25BrN2O4S/c1-5-7-8-26-15-10-13(20)12(9-14(15)25-6-2)17-16(18(23)24-4)11(3)21-19(27)22-17/h9-10,17H,5-8H2,1-4H3,(H2,21,22,27)/t17-/m1/s1