N-[4-(furan-2-ylmethylamino)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(furan-2-ylmethylamino)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-nitro-benzamide Openeye Name: N-[4-(2-furylmethylamino)-1,1-dioxo-thiolan-3-yl]-4-nitro-benzamide CAS Name: N-[4-(2-furanylmethylamino)-1,1-dioxo-3-thiolanyl]-4-nitrobenzamide IUPAC Name: N-[4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]-4-nitrobenzamide Traditional Name: N-[4-(2-furfurylamino)-1,1-diketo-thiolan-3-yl]-4-nitro-benzamide Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

C1C(C(CS1(=O)=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C16H17N3O6S/c20-16(11-3-5-12(6-4-11)19(21)22)18-15-10-26(23,24)9-14(15)17-8-13-2-1-7-25-13/h1-7,14-15,17H,8-10H2,(H,18,20)