N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1,1-dioxothiolan-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(1,1-dioxothiolan-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1,1-diketothiolan-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCC3CCS(=O)(=O)C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCC3CCS(=O)(=O)C3)OC1

InChI

InChI=1S/C15H19NO5S/c17-15(16-9-11-4-7-22(18,19)10-11)12-2-3-13-14(8-12)21-6-1-5-20-13/h2-3,8,11H,1,4-7,9-10H2,(H,16,17)