(3E)-3-[7-(3,5-dimethoxy-4-oxidanyl-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3E)-3-[7-(3,5-dimethoxy-4-oxidanyl-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[7-(4-hydroxy-3,5-dimethoxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[7-(4-hydroxy-3,5-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[7-(4-hydroxy-3,5-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[7-(4-hydroxy-3,5-dimethoxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C19H21NO6S MolecularWeight: 391.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC(=C(C(=C3)OC)O)OC)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CC(=C(C(=C3)OC)O)OC)/C(=O)O1

InChI

InChI=1S/C19H21NO6S/c1-10-6-13(21)17(19(23)26-10)12-9-16(27-5-4-20-12)11-7-14(24-2)18(22)15(8-11)25-3/h6-8,16,20,22H,4-5,9H2,1-3H3/b17-12+