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

Systemtic Name: ethyl 4-[3-bromanyl-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-bromo-4-(2-methoxy-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-bromo-4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-bromo-4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-bromo-4-(2-keto-2-methoxy-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19BrN2O5S MolecularWeight: 443.31216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC(=O)OC)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC(=O)OC)Br)C

InChI

InChI=1S/C17H19BrN2O5S/c1-4-24-16(22)14-9(2)19-17(26)20-15(14)10-5-6-12(11(18)7-10)25-8-13(21)23-3/h5-7,15H,4,8H2,1-3H3,(H2,19,20,26)