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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3S/c1-12-7-10-21-17(12)6-4-14(18)13-3-5-15-16(11-13)20-9-2-8-19-15/h3-7,10-11H,2,8-9H2,1H3/b6-4+