ethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2Br)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2Br)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H17BrN2O4S/c1-2-25-19(24)16-17(11-6-4-3-5-7-11)22-20(28)23-18(16)12-8-14-15(9-13(12)21)27-10-26-14/h3-9,18H,2,10H2,1H3,(H2,22,23,28)