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

Systemtic Name: 2-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione Openeye Name: 2-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione CAS Name: 2-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione IUPAC Name: 2-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione Traditional Name: 2-[7-(2,4-diethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-quinone Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2CC(=C3C(=O)CCCC3=O)NCCS2)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2CC(=C3C(=O)CCCC3=O)NCCS2)OCC

InChI

InChI=1S/C21H27NO4S/c1-3-25-14-8-9-15(19(12-14)26-4-2)20-13-16(22-10-11-27-20)21-17(23)6-5-7-18(21)24/h8-9,12,20,22H,3-7,10-11,13H2,1-2H3