(3Z)-3-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3Z)-3-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3Z)-3-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3Z)-3-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3Z)-3-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3Z)-3-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2CC(=C3C(=O)C=C(OC3=O)C)NCCS2)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2C/C(=C/3\C(=O)C=C(OC3=O)C)/NCCS2)OCC

InChI

InChI=1S/C21H25NO5S/c1-4-25-14-6-7-15(18(11-14)26-5-2)19-12-16(22-8-9-28-19)20-17(23)10-13(3)27-21(20)24/h6-7,10-11,19,22H,4-5,8-9,12H2,1-3H3/b20-16-