(3E)-3-[7-(2,4-dimethoxyphenyl)-1-oxidanylidene-1,4-thiazepan-5-ylidene]-6-methoxy-pyran-2,4-dione

Systemtic Name: (3E)-3-[7-(2,4-dimethoxyphenyl)-1-oxidanylidene-1,4-thiazepan-5-ylidene]-6-methoxy-pyran-2,4-dione Openeye Name: (3E)-3-[7-(2,4-dimethoxyphenyl)-1-oxo-1,4-thiazepan-5-ylidene]-6-methoxy-pyran-2,4-dione CAS Name: (3E)-3-[7-(2,4-dimethoxyphenyl)-1-oxo-1,4-thiazepan-5-ylidene]-6-methoxypyran-2,4-dione IUPAC Name: (3E)-3-[7-(2,4-dimethoxyphenyl)-1-oxo-1,4-thiazepan-5-ylidene]-6-methoxypyran-2,4-dione Traditional Name: (3E)-3-[7-(2,4-dimethoxyphenyl)-1-keto-1,4-thiazepan-5-ylidene]-6-methoxy-pyran-2,4-quinone Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CC(=C3C(=O)C=C(OC3=O)OC)NCCS2=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2C/C(=C\3/C(=O)C=C(OC3=O)OC)/NCCS2=O)OC

InChI

InChI=1S/C19H21NO7S/c1-24-11-4-5-12(15(8-11)25-2)16-9-13(20-6-7-28(16)23)18-14(21)10-17(26-3)27-19(18)22/h4-5,8,10,16,20H,6-7,9H2,1-3H3/b18-13+