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

Systemtic Name: methyl (4S)-4-[2-bromanyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-[2-bromo-4-(2-ethoxy-2-oxo-ethoxy)-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[2-bromo-4-(2-ethoxy-2-keto-ethoxy)-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H21BrN2O6S MolecularWeight: 473.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C(=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)OC)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C(=C1)Br)[C@@H]2C(=C(NC(=S)N2)C)C(=O)OC)OC

InChI

InChI=1S/C18H21BrN2O6S/c1-5-26-14(22)8-27-13-7-11(19)10(6-12(13)24-3)16-15(17(23)25-4)9(2)20-18(28)21-16/h6-7,16H,5,8H2,1-4H3,(H2,20,21,28)/t16-/m1/s1