3-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one Traditional Name: 3-piperonyl-2,3-dihydro-4,1-benzoxathiepin-5-one Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C2S1)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C2S1)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14O4S/c18-17-13-3-1-2-4-16(13)22-9-12(21-17)7-11-5-6-14-15(8-11)20-10-19-14/h1-6,8,12H,7,9-10H2