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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-methylthiophen-2-yl)methyl]-2-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methyl-2-thienyl)methyl]-2-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-[(3-methyl-2-thiophenyl)methyl]-2-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methylthiophen-2-yl)methyl]-2-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-[(3-methyl-2-thienyl)methyl]-2-nitro-benzamide Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CN([C@H]2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S2/c1-12-6-8-25-16(12)10-18(13-7-9-26(23,24)11-13)17(20)14-4-2-3-5-15(14)19(21)22/h2-6,8,13H,7,9-11H2,1H3/t13-/m0/s1