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

Systemtic Name: (3E)-3-[7-(4-bromanylthiophen-2-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[7-(4-bromo-2-thienyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[7-(4-bromo-2-thiophenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[7-(4-bromothiophen-2-yl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[7-(4-bromo-2-thienyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C15H14BrNO3S2 MolecularWeight: 400.31056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC(=CS3)Br)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CC(=CS3)Br)/C(=O)O1

InChI

InChI=1S/C15H14BrNO3S2/c1-8-4-11(18)14(15(19)20-8)10-6-13(21-3-2-17-10)12-5-9(16)7-22-12/h4-5,7,13,17H,2-3,6H2,1H3/b14-10+