2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-2-yl]thio]acetate Formula: C14H13N2O4S- MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)N3C=CN=C3SCC(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)N3C=CN=C3SCC(=O)[O-])OC1

InChI

InChI=1S/C14H14N2O4S/c17-13(18)9-21-14-15-4-5-16(14)10-2-3-11-12(8-10)20-7-1-6-19-11/h2-5,8H,1,6-7,9H2,(H,17,18)/p-1