2,3-dimethoxy-5-methyl-6-[5-(1,2,4-oxathiazinan-4-yl)-5-oxidanylidene-1-phenyl-pentyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[5-(1,2,4-oxathiazinan-4-yl)-5-oxidanylidene-1-phenyl-pentyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-[5-(1,2,4-oxathiazinan-4-yl)-5-oxo-1-phenyl-pentyl]-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-[5-(1,2,4-oxathiazinan-4-yl)-5-oxo-1-phenylpentyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-[5-(1,2,4-oxathiazinan-4-yl)-5-oxo-1-phenylpentyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[5-keto-5-(1,2,4-oxathiazinan-4-yl)-1-phenyl-pentyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCC(=O)N2CCOSC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCC(=O)N2CCOSC2)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO6S/c1-15-19(21(27)23(29-3)22(28-2)20(15)26)17(16-8-5-4-6-9-16)10-7-11-18(25)24-12-13-30-31-14-24/h4-6,8-9,17H,7,10-14H2,1-3H3