N-[3,4-dihydro-2H-1,5-benzodioxepin-6-yl(trichloromethylsulfanyl)methyl]carbamate

Systemtic Name: N-[3,4-dihydro-2H-1,5-benzodioxepin-6-yl(trichloromethylsulfanyl)methyl]carbamate Openeye Name: N-[3,4-dihydro-2H-1,5-benzodioxepin-6-yl(trichloromethylsulfanyl)methyl]carbamate CAS Name: N-[3,4-dihydro-2H-1,5-benzodioxepin-6-yl-(trichloromethylthio)methyl]carbamate IUPAC Name: N-[3,4-dihydro-2H-1,5-benzodioxepin-6-yl(trichloromethylsulfanyl)methyl]carbamate Traditional Name: N-[3,4-dihydro-2H-1,5-benzodioxepin-6-yl-(trichloromethylthio)methyl]carbamate Formula: C12H11Cl3NO4S- MolecularWeight: 371.64404

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)C(NC(=O)[O-])SC(Cl)(Cl)Cl

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)C(NC(=O)[O-])SC(Cl)(Cl)Cl

InChI

InChI=1S/C12H12Cl3NO4S/c13-12(14,15)21-10(16-11(17)18)7-3-1-4-8-9(7)20-6-2-5-19-8/h1,3-4,10,16H,2,5-6H2,(H,17,18)/p-1