(3E)-3-[7-[5-[3-chloranyl-2-(trifluoromethyl)phenyl]furan-2-yl]-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3E)-3-[7-[5-[3-chloranyl-2-(trifluoromethyl)phenyl]furan-2-yl]-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[7-[5-[3-chloro-2-(trifluoromethyl)phenyl]-2-furyl]-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[7-[5-[3-chloro-2-(trifluoromethyl)phenyl]-2-furanyl]-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[7-[5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-yl]-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[7-[5-[3-chloro-2-(trifluoromethyl)phenyl]-2-furyl]-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C22H17ClF3NO4S MolecularWeight: 483.88789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)C(F)(F)F)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)C(F)(F)F)/C(=O)O1

InChI

InChI=1S/C22H17ClF3NO4S/c1-11-9-15(28)19(21(29)30-11)14-10-18(32-8-7-27-14)17-6-5-16(31-17)12-3-2-4-13(23)20(12)22(24,25)26/h2-6,9,18,27H,7-8,10H2,1H3/b19-14+