1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzo[f]chromen-3-one

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzo[f]chromen-3-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzo[f]chromen-3-one CAS Name: 1-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzo[f]chromen-3-one Traditional Name: 1-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]benzo[f]chromen-3-one Formula: C23H18O4S MolecularWeight: 390.45162

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)OC1

InChI

InChI=1S/C23H18O4S/c24-22-12-16(23-18-5-2-1-4-15(18)6-8-20(23)27-22)14-28-17-7-9-19-21(13-17)26-11-3-10-25-19/h1-2,4-9,12-13H,3,10-11,14H2