2-[7-(2,3,4-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[7-(2,3,4-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione Openeye Name: 2-[7-(2,3,4-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione CAS Name: 2-[7-(2,3,4-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione IUPAC Name: 2-[7-(2,3,4-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione Traditional Name: 2-[7-(2,3,4-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-quinone Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(=C3C(=O)CCCC3=O)NCCS2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2CC(=C3C(=O)CCCC3=O)NCCS2)OC)OC

InChI

InChI=1S/C20H25NO5S/c1-24-16-8-7-12(19(25-2)20(16)26-3)17-11-13(21-9-10-27-17)18-14(22)5-4-6-15(18)23/h7-8,17,21H,4-6,9-11H2,1-3H3