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

Systemtic Name: methyl (4S)-4-(2-bromanyl-4-butoxy-5-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-bromo-4-butoxy-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-bromo-4-butoxy-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H23BrN2O4S MolecularWeight: 443.35522

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4S/c1-5-6-7-25-14-9-12(19)11(8-13(14)23-3)16-15(17(22)24-4)10(2)20-18(26)21-16/h8-9,16H,5-7H2,1-4H3,(H2,20,21,26)/t16-/m1/s1