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

Systemtic Name: 2-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione Openeye Name: 2-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione CAS Name: 2-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione IUPAC Name: 2-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-dione Traditional Name: 2-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]cyclohexane-1,3-quinone Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-23-12-6-7-13(17(10-12)24-2)18-11-14(20-8-9-25-18)19-15(21)4-3-5-16(19)22/h6-7,10,18,20H,3-5,8-9,11H2,1-2H3