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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(furan-2-ylmethyl)-3-methyl-4-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-furylmethyl)-3-methyl-4-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-(2-furanylmethyl)-3-methyl-4-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-3-methyl-4-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-(2-furfuryl)-3-methyl-4-nitro-benzamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N(CC2=CC=CO2)[C@H]3CCS(=O)(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-12-9-13(4-5-16(12)19(21)22)17(20)18(10-15-3-2-7-25-15)14-6-8-26(23,24)11-14/h2-5,7,9,14H,6,8,10-11H2,1H3/t14-/m0/s1