ethyl 6-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H21N3O6S/c1-2-30-21(28)16-11-24-22(29)25-18(16)12-31-20(27)15-8-4-3-7-14(15)13-33-23-26-17-9-5-6-10-19(17)32-23/h3-10H,2,11-13H2,1H3,(H2,24,25,29)