5-methyl-1-(1-oxidanylidene-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepin-3-yl)pyrimidine-2,4-dione

Systemtic Name: 5-methyl-1-(1-oxidanylidene-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepin-3-yl)pyrimidine-2,4-dione Openeye Name: 5-methyl-1-(1-oxo-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepin-3-yl)pyrimidine-2,4-dione CAS Name: 5-methyl-1-(1-oxo-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepin-3-yl)pyrimidine-2,4-dione IUPAC Name: 5-methyl-1-(1-oxo-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepin-3-yl)pyrimidine-2,4-dione Traditional Name: 1-(1-keto-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepin-3-yl)-5-methyl-pyrimidine-2,4-quinone Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CS(=O)C3=CC=CC=C3CO2

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CS(=O)C3=CC=CC=C3CO2

InChI

InChI=1S/C14H14N2O4S/c1-9-6-16(14(18)15-13(9)17)12-8-21(19)11-5-3-2-4-10(11)7-20-12/h2-6,12H,7-8H2,1H3,(H,15,17,18)