S-[2-[6-chloranyl-3-methyl-1,1-bis(oxidanylidene)-7-sulfamoyl-2,4-dihydro-1$l^{6},2,4-benzothiadiazin-3-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[6-chloranyl-3-methyl-1,1-bis(oxidanylidene)-7-sulfamoyl-2,4-dihydro-1$l^{6},2,4-benzothiadiazin-3-yl]ethyl] ethanethioate Openeye Name: S-[2-(6-chloro-3-methyl-1,1-dioxo-7-sulfamoyl-2,4-dihydro-1$l^{6},2,4-benzothiadiazin-3-yl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(6-chloro-3-methyl-1,1-dioxo-7-sulfamoyl-2,4-dihydro-1$l^{6},2,4-benzothiadiazin-3-yl)ethyl] ester IUPAC Name: S-[2-(6-chloro-3-methyl-1,1-dioxo-7-sulfamoyl-2,4-dihydro-1$l^{6},2,4-benzothiadiazin-3-yl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(6-chloro-1,1-diketo-3-methyl-7-sulfamoyl-2,4-dihydro-1$l^{6},2,4-benzothiadiazin-3-yl)ethyl] ester Formula: C12H16ClN3O5S3 MolecularWeight: 413.92054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1(NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)C

Isomeric SMILES

CC(=O)SCCC1(NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)C

InChI

InChI=1S/C12H16ClN3O5S3/c1-7(17)22-4-3-12(2)15-9-5-8(13)10(23(14,18)19)6-11(9)24(20,21)16-12/h5-6,15-16H,3-4H2,1-2H3,(H2,14,18,19)