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

Systemtic Name: 2,3-dimethoxy-5-methyl-6-(5-oxidanylidene-1-phenyl-5-thiomorpholin-4-yl-pentyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-(5-oxo-1-phenyl-5-thiomorpholino-pentyl)-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-(5-oxo-1-phenyl-5-thiomorpholin-4-ylpentyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-(5-oxo-1-phenyl-5-thiomorpholin-4-ylpentyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(5-keto-1-phenyl-5-thiomorpholino-pentyl)-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCC(=O)N2CCSCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCC(=O)N2CCSCC2)C3=CC=CC=C3

InChI

InChI=1S/C24H29NO5S/c1-16-20(22(28)24(30-3)23(29-2)21(16)27)18(17-8-5-4-6-9-17)10-7-11-19(26)25-12-14-31-15-13-25/h4-6,8-9,18H,7,10-15H2,1-3H3