(3E)-3-[7-(2-methoxy-4-methylsulfanyl-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3E)-3-[7-(2-methoxy-4-methylsulfanyl-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[7-(2-methoxy-4-methylsulfanyl-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[7-[2-methoxy-4-(methylthio)phenyl]-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[7-(2-methoxy-4-methylsulfanylphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[7-[2-methoxy-4-(methylthio)phenyl]-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=C(C=C(C=C3)SC)OC)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=C(C=C(C=C3)SC)OC)/C(=O)O1

InChI

InChI=1S/C19H21NO4S2/c1-11-8-15(21)18(19(22)24-11)14-10-17(26-7-6-20-14)13-5-4-12(25-3)9-16(13)23-2/h4-5,8-9,17,20H,6-7,10H2,1-3H3/b18-14+