ethyl (4R)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H22N2O5S/c1-3-23-17(21)16-11(2)19-18(22)20-13(16)10-26-12-5-6-14-15(9-12)25-8-4-7-24-14/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H2,19,20,22)/t11-/m1/s1