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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-N-(furan-2-ylmethyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-furylmethyl)-3-nitro-benzamide CAS Name: 4-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-(2-furanylmethyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-N-(2-furfuryl)-3-nitro-benzamide Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(CC2=CC=CO2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O6S/c17-14-4-3-11(8-15(14)19(21)22)16(20)18(9-13-2-1-6-25-13)12-5-7-26(23,24)10-12/h1-4,6,8,12H,5,7,9-10H2/t12-/m0/s1