N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-bis(oxidanylidene)-N-(thiophen-2-ylmethyl)thiolan-3-amine

Systemtic Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-bis(oxidanylidene)-N-(thiophen-2-ylmethyl)thiolan-3-amine Openeye Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-dioxo-N-(2-thienylmethyl)thiolan-3-amine CAS Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-dioxo-N-(thiophen-2-ylmethyl)-3-thiolanamine IUPAC Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-dioxo-N-(thiophen-2-ylmethyl)thiolan-3-amine Traditional Name: (1,1-diketothiolan-3-yl)-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-(2-thenyl)amine Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H20N2O6S2/c21-20(22)16-6-13(18-14(7-16)10-25-12-26-18)8-19(9-17-2-1-4-27-17)15-3-5-28(23,24)11-15/h1-2,4,6-7,15H,3,5,8-12H2