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

Systemtic Name: 3-methyl-N-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-4-nitro-benzamide CAS Name: 3-methyl-N-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketo-3-methyl-thiolan-3-yl]-3-methyl-4-nitro-benzamide Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2(CCS(=O)(=O)C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@]2(CCS(=O)(=O)C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-9-7-10(3-4-11(9)15(17)18)12(16)14-13(2)5-6-21(19,20)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)/t13-/m0/s1