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

Systemtic Name: ethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)O

InChI

InChI=1S/C16H19BrN2O4S/c1-4-22-11-7-9(6-10(17)14(11)20)13-12(15(21)23-5-2)8(3)18-16(24)19-13/h6-7,13,20H,4-5H2,1-3H3,(H2,18,19,24)