1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C18H14N2O5S2 MolecularWeight: 402.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H14N2O5S2/c21-14(11-2-5-15-16(8-11)25-7-1-6-24-15)10-26-18-19-13-4-3-12(20(22)23)9-17(13)27-18/h2-5,8-9H,1,6-7,10H2