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

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[[3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-[[3-(2-oxo-2-thiomorpholino-ethyl)phenyl]methyl]-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-[[3-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-[[3-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[3-(2-keto-2-thiomorpholino-ethyl)benzyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-14-17(20(26)22(28-3)21(27-2)19(14)25)12-15-5-4-6-16(11-15)13-18(24)23-7-9-29-10-8-23/h4-6,11H,7-10,12-13H2,1-3H3