S-[3-(6-nitro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)propyl] ethanethioate

Systemtic Name: S-[3-(6-nitro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)propyl] ethanethioate Openeye Name: S-[3-(6-nitro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)propyl] ethanethioate CAS Name: ethanethioic acid S-[3-(6-nitro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)propyl] ester IUPAC Name: S-[3-(6-nitro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(6-nitro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)propyl] ester Formula: C12H16N4O5S3 MolecularWeight: 392.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC1NC2=CC(=C(C=C2SN1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCCCC1NC2=CC(=C(C=C2SN1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5S3/c1-7(17)22-4-2-3-12-14-8-5-9(16(18)19)11(24(13,20)21)6-10(8)23-15-12/h5-6,12,14-15H,2-4H2,1H3,(H2,13,20,21)