(E)-3-(4-bromanylthiophen-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-bromo-2-thienyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one CAS Name: (E)-3-(4-bromo-2-thiophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-bromo-2-thienyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Formula: C16H13BrO3S MolecularWeight: 365.24162

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)C=CC3=CC(=CS3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)/C=C/C3=CC(=CS3)Br)OC1

InChI

InChI=1S/C16H13BrO3S/c17-12-9-13(21-10-12)3-4-14(18)11-2-5-15-16(8-11)20-7-1-6-19-15/h2-5,8-10H,1,6-7H2/b4-3+