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

Systemtic Name: 2-methoxyethyl 4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C18H23BrN2O5S MolecularWeight: 459.35462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)OCCOC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)OCCOC)OC

InChI

InChI=1S/C18H23BrN2O5S/c1-5-25-16-12(19)8-11(9-13(16)24-4)15-14(10(2)20-18(27)21-15)17(22)26-7-6-23-3/h8-9,15H,5-7H2,1-4H3,(H2,20,21,27)