N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C13H13N3O6S2 MolecularWeight: 371.38882

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6S2/c17-12(14-8-3-4-24(20,21)7-8)6-23-13-15-10-5-9(16(18)19)1-2-11(10)22-13/h1-2,5,8H,3-4,6-7H2,(H,14,17)