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

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[[3-(3-oxidanylidene-3-thiomorpholin-4-yl-propyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-[[3-(3-oxo-3-thiomorpholino-propyl)phenyl]methyl]-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-[[3-(3-oxo-3-thiomorpholin-4-ylpropyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-[[3-(3-oxo-3-thiomorpholin-4-ylpropyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[3-(3-keto-3-thiomorpholino-propyl)benzyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C23H27NO5S MolecularWeight: 429.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=CC=C2)CCC(=O)N3CCSCC3

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=CC=C2)CCC(=O)N3CCSCC3

InChI

InChI=1S/C23H27NO5S/c1-15-18(21(27)23(29-3)22(28-2)20(15)26)14-17-6-4-5-16(13-17)7-8-19(25)24-9-11-30-12-10-24/h4-6,13H,7-12,14H2,1-3H3