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

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(5-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(5-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(5-methyl-2-thienyl)prop-2-en-1-one Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H16O3S/c1-12-3-5-14(21-12)6-7-15(18)13-4-8-16-17(11-13)20-10-2-9-19-16/h3-8,11H,2,9-10H2,1H3/b7-6+