ethyl 3-(3-bromophenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(3-bromophenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(3-bromophenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-bromophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-bromophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3-bromophenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC(=CC=C3)Br)C)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC(=CC=C3)Br)C)C(=O)OCC)O

InChI

InChI=1S/C22H23BrN2O4S/c1-4-28-18-11-14(9-10-17(18)26)20-19(21(27)29-5-2)13(3)25(22(30)24-20)16-8-6-7-15(23)12-16/h6-12,20,26H,4-5H2,1-3H3,(H,24,30)