3-[7-(2,4-dimethoxyphenyl)-4-ethanoyl-1,4-thiazepan-5-yl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[7-(2,4-dimethoxyphenyl)-4-ethanoyl-1,4-thiazepan-5-yl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[4-acetyl-7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-yl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[4-acetyl-7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-yl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[4-acetyl-7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-yl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[4-acetyl-7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-yl]-2-hydroxy-6-methyl-pyran-4-one Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C2CC(SCCN2C(=O)C)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C2CC(SCCN2C(=O)C)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-12-9-17(24)20(21(25)28-12)16-11-19(29-8-7-22(16)13(2)23)15-6-5-14(26-3)10-18(15)27-4/h5-6,9-10,16,19,25H,7-8,11H2,1-4H3