(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylthiophen-2-yl)methanone

Systemtic Name: (7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylthiophen-2-yl)methanone Openeye Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyl-2-thienyl)methanone CAS Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyl-2-thiophenyl)methanone IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylthiophen-2-yl)methanone Traditional Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyl-2-thienyl)methanone Formula: C15H13BrO3S MolecularWeight: 353.23092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2=CC3=C(C=C2Br)OCCCO3

Isomeric SMILES

CC1=C(SC=C1)C(=O)C2=CC3=C(C=C2Br)OCCCO3

InChI

InChI=1S/C15H13BrO3S/c1-9-3-6-20-15(9)14(17)10-7-12-13(8-11(10)16)19-5-2-4-18-12/h3,6-8H,2,4-5H2,1H3